diff --git a/conda-requirements b/conda-requirements index 1f504240700..e4a04f04bba 100644 --- a/conda-requirements +++ b/conda-requirements @@ -8,5 +8,4 @@ astropy>=0.4 PyYAML>=3.0 numexpr>=2.0.0 Cython>=0.21 -jinja2 -networkx +jinja2 \ No newline at end of file diff --git a/tardis/atomic.py b/tardis/atomic.py index f573fc7d1ac..6d9d0347aa4 100644 --- a/tardis/atomic.py +++ b/tardis/atomic.py @@ -358,20 +358,12 @@ def from_hdf5(cls, fname=None): def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_atom_data=None, zeta_data=None, collision_data=None, synpp_refs=None, ion_cx_data=None): - if levels_data is not None: - self.has_levels = True - else: - self.has_levels = False - - if lines_data is not None: - self.has_lines = True - else: - self.has_lines = False if macro_atom_data is not None: self.has_macro_atom = True self.macro_atom_data_all = DataFrame(macro_atom_data[0].__array__()) self.macro_atom_references_all = DataFrame(macro_atom_data[1].__array__()) + else: self.has_macro_atom = False @@ -439,7 +431,7 @@ def __init__(self, atom_data, ionization_data, levels_data, lines_data, macro_at - self.ion_cx_data = ion_cx_data + diff --git a/tardis/conftest.py b/tardis/conftest.py index 3619f1cff99..50f40d7db51 100644 --- a/tardis/conftest.py +++ b/tardis/conftest.py @@ -139,35 +139,4 @@ def pytest_report_header(config): if not six.PY3: s = s.encode(stdoutencoding, 'replace') - return s - - -import os - -@pytest.fixture -def atomic_data_fname(): - atomic_data_fname = pytest.config.getvalue("atomic-dataset") - if atomic_data_fname is None: - pytest.skip('--atomic_database was not specified') - else: - return os.path.expandvars(os.path.expanduser(atomic_data_fname)) - -from tardis.atomic import AtomData - -@pytest.fixture -def kurucz_atomic_data(atomic_data_fname): - atomic_data = AtomData.from_hdf5(atomic_data_fname) - - if atomic_data.md5 != '21095dd25faa1683f4c90c911a00c3f8': - pytest.skip('Need default Kurucz atomic dataset ' - '(md5="21095dd25faa1683f4c90c911a00c3f8"') - else: - return atomic_data - -@pytest.fixture -def included_he_atomic_data(): - import os, tardis - atomic_db_fname = os.path.join(tardis.__path__[0], 'tests', 'data', - 'chianti_he_db.h5') - return AtomData.from_hdf5(atomic_db_fname) - + return s \ No newline at end of file diff --git a/tardis/data/density_sets.h5 b/tardis/data/density_sets.h5 new file mode 100644 index 00000000000..b2294169693 Binary files /dev/null and b/tardis/data/density_sets.h5 differ diff --git a/tardis/data/lucy99_general_default.ini b/tardis/data/lucy99_general_default.ini new file mode 100644 index 00000000000..4f7b69531c5 --- /dev/null +++ b/tardis/data/lucy99_general_default.ini @@ -0,0 +1,12 @@ +[general] +max_atom=30 +max_ion=30 +time_exp=13 +v_inner=11000.0 +v_outer=30000.0 +log_l_lsun=9.44 +zones=20 +calibration_packets=2e4 +spectrum_packets=1e5 +iterations=10 +density_model=lucy99_w7 \ No newline at end of file diff --git a/tardis/data/tardis_config_definition.yml b/tardis/data/tardis_config_definition.yml index 3575aa821a8..699d5ac224c 100644 --- a/tardis/data/tardis_config_definition.yml +++ b/tardis/data/tardis_config_definition.yml @@ -85,7 +85,7 @@ plasma: property_type: string mandatory: True default: None - allowed_value: dilute-blackbody detailed blackbody + allowed_value: dilute-blackbody detailed help: radiative rates treatment mode line_interaction_type: diff --git a/tardis/io/tests/test_model_reader.py b/tardis/io/tests/test_model_reader.py index d6ef21286e4..5aa12293934 100644 --- a/tardis/io/tests/test_model_reader.py +++ b/tardis/io/tests/test_model_reader.py @@ -1,35 +1,38 @@ -import os +import tardis +from tardis.io.model_reader import (read_artis_density, +read_simple_ascii_abundances) from astropy import units as u import numpy as np + import pytest -import tardis -from tardis.io.model_reader import (read_artis_density, -read_simple_ascii_abundances) +import os data_path = os.path.join(tardis.__path__[0], 'io', 'tests', 'data') @pytest.fixture def artis_density_fname(): return os.path.join(data_path, 'artis_model.dat') - @pytest.fixture def artis_abundances_fname(): return os.path.join(data_path, 'artis_abundances.dat') def test_simple_read_artis_density(artis_density_fname): (time_of_model, index, v_inner, v_outer, - mean_density) = read_artis_density(artis_density_fname) + mean_density) = read_artis_density(artis_density_fname) assert np.isclose(0.00114661 * u.day, time_of_model, atol=1e-7 * u.day) - assert np.isclose(mean_density[23], 0.2250048 * u.g / u.cm**3, atol=1.e-6 - * u.g / u.cm**3) + assert np.isclose(mean_density[23], 0.2250048 * u.g / u.cm**3, atol=1.e-6 * + u.g / u.cm**3) assert len(mean_density) == 69 assert len(mean_density) == len(v_inner) -# Artis files are currently read with read ascii files function +#Artis files are currently read with read ascii files function def test_read_simple_ascii_abundances(artis_abundances_fname): index, abundances = read_simple_ascii_abundances(artis_abundances_fname) assert len(abundances.columns) == 69 assert np.isclose(abundances[23].ix[2], 2.672351e-08 , atol=1.e-12) + + + diff --git a/tardis/model.py b/tardis/model.py index 89ad3a06732..357deaa5636 100644 --- a/tardis/model.py +++ b/tardis/model.py @@ -10,10 +10,9 @@ import scipy.special from util import intensity_black_body -from tardis import packet_source +from tardis import packet_source, plasma_array from tardis.montecarlo import montecarlo from tardis.montecarlo.base import MontecarloRunner -from tardis.plasma.standard_plasmas import LegacyPlasmaArray @@ -122,14 +121,16 @@ def __init__(self, tardis_config): self.ws = (0.5 * (1 - np.sqrt(1 - (tardis_config.structure.r_inner[0] ** 2 / tardis_config.structure.r_middle ** 2).to(1).value))) - self.plasma_array = LegacyPlasmaArray(tardis_config.number_densities, tardis_config.atom_data, + + self.plasma_array = plasma_array.BasePlasmaArray(tardis_config.number_densities, tardis_config.atom_data, tardis_config.supernova.time_explosion.to('s').value, nlte_config=tardis_config.plasma.nlte, delta_treatment=tardis_config.plasma.delta_treatment, ionization_mode=tardis_config.plasma.ionization, - excitation_mode=tardis_config.plasma.excitation, - line_interaction_type=tardis_config.plasma.line_interaction_type, - link_t_rad_t_electron=0.9) + excitation_mode=tardis_config.plasma.excitation) + + + self.spectrum = TARDISSpectrum(tardis_config.spectrum.frequency, tardis_config.supernova.distance) self.spectrum_virtual = TARDISSpectrum(tardis_config.spectrum.frequency, tardis_config.supernova.distance) @@ -176,7 +177,7 @@ def calculate_j_blues(self, init_detailed_j_blues=False): radiative_rates_type = self.tardis_config.plasma.radiative_rates_type w_epsilon = self.tardis_config.plasma.w_epsilon - if radiative_rates_type == 'blackbody': + if radiative_rates_type == 'lte': logger.info('Calculating J_blues for radiative_rates_type=lte') j_blues = intensity_black_body(nus[np.newaxis].T, self.t_rads.value) self.j_blues = pd.DataFrame(j_blues, index=self.atom_data.lines.index, columns=np.arange(len(self.t_rads))) @@ -200,11 +201,12 @@ def calculate_j_blues(self, init_detailed_j_blues=False): def update_plasmas(self, initialize_nlte=False): - self.plasma_array.update_radiationfield(self.t_rads.value, self.ws, self.j_blues, - self.tardis_config.plasma.nlte, initialize_nlte=initialize_nlte, n_e_convergence_threshold=0.05) + self.plasma_array.update_radiationfield(self.t_rads.value, self.ws, j_blues=self.j_blues, + initialize_nlte=initialize_nlte) + if self.tardis_config.plasma.line_interaction_type in ('downbranch', 'macroatom'): - self.transition_probabilities = self.plasma_array.transition_probabilities + self.transition_probabilities = self.plasma_array.calculate_transition_probabilities() def update_radiationfield(self, log_sampling=5): @@ -283,6 +285,7 @@ def update_radiationfield(self, log_sampling=5): self.tardis_config.supernova.luminosity_requested.value) logger.info('Calculating new t_inner = %.3f', updated_t_inner.value) + return t_inner_new diff --git a/tardis/plasma/__init__.py b/tardis/plasma/__init__.py deleted file mode 100644 index f7807e3b90d..00000000000 --- a/tardis/plasma/__init__.py +++ /dev/null @@ -1,2 +0,0 @@ -from tardis.plasma.base import BasePlasma -from tardis.plasma.standard_plasmas import LTEPlasma diff --git a/tardis/plasma/base.py b/tardis/plasma/base.py deleted file mode 100644 index e7a9d1599e2..00000000000 --- a/tardis/plasma/base.py +++ /dev/null @@ -1,240 +0,0 @@ -import logging - -import networkx as nx -from tardis.plasma.exceptions import PlasmaMissingModule, NotInitializedModule - -import tempfile -import fileinput - - -logger = logging.getLogger(__name__) - - -class BasePlasma(object): - outputs_dict = {} - def __init__(self, plasma_properties, **kwargs): - self.outputs_dict = {} - self.input_properties = [] - self.plasma_properties = self._init_properties(plasma_properties, - **kwargs) - self._build_graph() -# self.write_to_tex('Plasma_Graph', 'Plasma_Formulae') - self.update(**kwargs) - - def __getattr__(self, item): - if item in self.outputs_dict: - return self.get_value(item) - else: - super(BasePlasma, self).__getattribute__(item) - - def __setattr__(self, key, value): - if key != 'module_dict' and key in self.outputs_dict: - raise AttributeError('Plasma inputs can only be updated using ' - 'the \'update\' method') - else: - super(BasePlasma, self).__setattr__(key, value) - - def __dir__(self): - attrs = [item for item in self.__dict__ - if not item.startswith('_')] - attrs += [item for item in self.__class__.__dict__ - if not item.startswith('_')] - attrs += self.module_dict.keys() - - return attrs - - @property - def plasma_properties_dict(self): - return {item.name:item for item in self.plasma_properties} - - def get_value(self, item): - return getattr(self.outputs_dict[item], item) - - def _build_graph(self): - """ - Builds the directed Graph using network X - - :param plasma_modules: - :return: - """ - - self.graph = nx.DiGraph() - ## Adding all nodes - self.graph.add_nodes_from([(plasma_property.name, {}) - for plasma_property - in self.plasma_properties]) - - #Flagging all input modules - self.input_properties = [item for item in self.plasma_properties - if not hasattr(item, 'inputs')] - - for plasma_property in self.plasma_properties: - #Skipping any module that is an input module - if plasma_property in self.input_properties: - continue - - for input in plasma_property.inputs: - if input not in self.outputs_dict: - raise PlasmaMissingModule('Module {0} requires input ' - '{1} which has not been added' - ' to this plasma'.format( - plasma_property.name, input)) - try: - position = self.outputs_dict[input].outputs.index(input) - label = self.outputs_dict[input].latex_name[position] - label = '$' + label + '$' - label = label.replace('\\', '\\\\') - except: - label = input.replace('_', '-') - self.graph.add_edge(self.outputs_dict[input].name, - plasma_property.name, label = label) - - def _init_properties(self, plasma_properties, **kwargs): - """ - Builds a dictionary with the plasma module names as keys - - Parameters - ---------- - - plasma_modules: ~list - list of Plasma properties - kwargs: dictionary - input values for input properties. For example, t_rad=[5000, 6000,], - j_blues=[..] - - """ - plasma_property_objects = [] - self.outputs_dict = {} - for plasma_property in plasma_properties: - - if hasattr(plasma_property, 'set_value'): - #duck-typing for PlasmaInputProperty - #that means if it is an input property from model - if not set(kwargs.keys()).issuperset(plasma_property.outputs): - missing_input_values = (set(plasma_property.outputs) - - set(kwargs.keys())) - raise NotInitializedModule('Input {0} required for ' - 'plasma but not given when ' - 'instantiating the ' - 'plasma'.format( - missing_input_values)) - current_property_object = plasma_property() - else: - current_property_object = plasma_property(self) - for output in plasma_property.outputs: - self.outputs_dict[output] = current_property_object - plasma_property_objects.append(current_property_object) - return plasma_property_objects - - def store_previous_properties(self): - self.outputs_dict['previous_electron_densities'].set_value( - self.get_value('electron_densities')) - self.outputs_dict['previous_beta_sobolevs'].set_value( - self.get_value('beta_sobolev')) - - def update(self, **kwargs): - for key in kwargs: - if key not in self.outputs_dict: - raise PlasmaMissingModule('Trying to update property {0}' - ' that is unavailable'.format(key)) - self.outputs_dict[key].set_value(kwargs[key]) - - for module_name in self._resolve_update_list(kwargs.keys()): - self.plasma_properties_dict[module_name].update() - - def _update_module_type_str(self): - for node in self.graph: - self.outputs_dict[node]._update_type_str() - - def _resolve_update_list(self, changed_properties): - """ - Returns a list of all plasma models which are affected by the - changed_modules due to there dependency in the - the plasma_graph. - - Parameters - ---------- - - changed_modules: ~list - all modules changed in the plasma - - Returns - ------- - - : ~list - all affected modules. - """ - - descendants_ob = [] - - for plasma_property in changed_properties: - node_name = self.outputs_dict[plasma_property].name - descendants_ob += nx.descendants(self.graph, node_name) - - descendants_ob = list(set(descendants_ob)) - sort_order = nx.topological_sort(self.graph) - - descendants_ob.sort(key=lambda val: sort_order.index(val) ) - - logger.debug('Updating modules in the following order:'.format( - '->'.join(descendants_ob))) - - return descendants_ob - - def write_to_dot(self, fname, latex_label=True): -# self._update_module_type_str() - - try: - import pygraphviz - except ImportError: - raise ImportError('pygraphviz is needed for method ' - '\'write_to_dot\'') - print_graph = self.graph.copy() - print_graph.remove_node('LinesUpperLevelIndex') - print_graph.remove_node('LinesLowerLevelIndex') - for node in print_graph: - print_graph.node[str(node)]['label'] = node - if hasattr(self.plasma_properties_dict[node], - 'latex_formula'): - formulae = self.plasma_properties_dict[node].latex_formula - for output in range(0, len(formulae)): - formula = formulae[output] - label = formula.replace('\\', '\\\\') - print_graph.node[str(node)]['label']+='\\n$' - print_graph.node[str(node)]['label']+=label - print_graph.node[str(node)]['label']+='$' - - nx.write_dot(print_graph, fname) - - def write_to_tex(self, fname_graph, fname_formulae): - try: - import dot2tex - except ImportError: - raise ImportError('dot2tex is needed for method\'write_to_tex\'') - - temp_fname = tempfile.NamedTemporaryFile().name - - self.write_to_dot(temp_fname) - - dot_string = open(temp_fname).read() - - open(fname_graph, 'w').write(dot2tex.dot2tex(dot_string, - texmode='raw')) - - for line in fileinput.input(fname_graph, inplace = 1): - print line.replace('\documentclass{article}', - '\documentclass[class=minimal,border=20pt]{standalone}'), - - for line in fileinput.input(fname_graph, inplace = 1): - print line.replace('\enlargethispage{100cm}', ''), - -class StandardPlasma(BasePlasma): - - def __init__(self, number_densities, atom_data, time_explosion, - delta_treatment=None, nlte_config=None, ionization_mode='lte', - excitation_mode='lte', w=None, - link_t_rad_t_electron=0.9, nlte_species=None, - previous_beta_sobolevs=None, - previous_electron_densities=None): - - pass diff --git a/tardis/plasma/exceptions.py b/tardis/plasma/exceptions.py deleted file mode 100644 index a0a1b728d8f..00000000000 --- a/tardis/plasma/exceptions.py +++ /dev/null @@ -1,25 +0,0 @@ -class PlasmaException(Exception): - pass - -class IncompleteAtomicData(PlasmaException): - def __init__(self, atomic_data_name): - message = ('The current plasma calculation requires {0}, ' - 'which is not provided by the given atomic data'.format( - atomic_data_name)) - super(PlasmaException, self).__init__(message) - - -class PlasmaMissingModule(PlasmaException): - pass - -class PlasmaIsolatedModule(PlasmaException): - pass - -class NotInitializedModule(PlasmaException): - pass - -class PlasmaIonizationError(PlasmaException): - pass - -class PlasmaConfigContradiction(PlasmaException): - pass \ No newline at end of file diff --git a/tardis/plasma/properties/__init__.py b/tardis/plasma/properties/__init__.py deleted file mode 100644 index 458c59f6a93..00000000000 --- a/tardis/plasma/properties/__init__.py +++ /dev/null @@ -1,9 +0,0 @@ -from tardis.plasma.properties.atomic import * -from tardis.plasma.properties.general import * -from tardis.plasma.properties.ion_population import * -from tardis.plasma.properties.level_population import * -from tardis.plasma.properties.partition_function import * -from tardis.plasma.properties.plasma_input import * -from tardis.plasma.properties.radiative_properties import * -from tardis.plasma.properties.nlte import * - diff --git a/tardis/plasma/properties/atomic.py b/tardis/plasma/properties/atomic.py deleted file mode 100644 index 49caac342f6..00000000000 --- a/tardis/plasma/properties/atomic.py +++ /dev/null @@ -1,234 +0,0 @@ -from abc import ABCMeta, abstractmethod -import numpy as np -import pandas as pd -from collections import Counter as counter -import logging - -from tardis.plasma.properties.base import ProcessingPlasmaProperty -from tardis.plasma.exceptions import IncompleteAtomicData - -logger = logging.getLogger(__name__) - -__all__ = ['Levels', 'Lines', 'LinesLowerLevelIndex', 'LinesUpperLevelIndex', - 'AtomicMass', 'IonizationData', 'ZetaData', 'NLTEData'] - -class BaseAtomicDataProperty(ProcessingPlasmaProperty): - __metaclass__ = ABCMeta - - inputs = ['atomic_data', 'selected_atoms'] - - def __init__(self, plasma_parent): - - super(BaseAtomicDataProperty, self).__init__(plasma_parent) - self.value = None - - @abstractmethod - def _set_index(self, raw_atomic_property): - raise NotImplementedError('Needs to be implemented in subclasses') - - @abstractmethod - def _filter_atomic_property(self, raw_atomic_property): - raise NotImplementedError('Needs to be implemented in subclasses') - - def calculate(self, atomic_data, selected_atoms): - - if getattr(self, self.outputs[0]) is not None: - return getattr(self, self.outputs[0]) - else: -# Atomic Data Issue: Some atomic property names in the h5 files are preceded -# by an underscore, e.g. _levels, _lines. - try: - raw_atomic_property = getattr(atomic_data, '_' - + self.outputs[0]) - except AttributeError: - raw_atomic_property = getattr(atomic_data, self.outputs[0]) - finally: - return self._set_index(self._filter_atomic_property( - raw_atomic_property, selected_atoms)) - -class Levels(BaseAtomicDataProperty): - """ - Outputs: - levels : Pandas DataFrame - Levels data needed for particular simulation - """ - outputs = ('levels', 'excitation_energy', 'metastability', 'g') - latex_name = ('\\textrm{levels}', '\\epsilon_{\\textrm{k}}', '\\textrm{metastability}', - 'g') - - def _filter_atomic_property(self, levels, selected_atoms): - return levels[levels.atomic_number.isin(selected_atoms)] - - def _set_index(self, levels): - levels = levels.set_index(['atomic_number', 'ion_number', - 'level_number']) - return (levels.index, levels['energy'], levels['metastable'], - levels['g']) - -class Lines(BaseAtomicDataProperty): - """ - Outputs: - lines : Pandas DataFrame - Lines data needed for particular simulation - """ - outputs = ('lines', 'nu', 'f_lu', 'wavelength_cm') - - def _filter_atomic_property(self, lines, selected_atoms): - return lines[lines.atomic_number.isin(selected_atoms)] - - def _set_index(self, lines): -# Filtering process re-arranges the index. This re-orders it. -# It seems to be important that the lines stay indexed in the correct order -# so that the tau_sobolevs values are in the right order for the montecarlo -# code, or it returns the wrong answer. - try: - reindexed = lines.reindex(lines.index) - except: - reindexed = lines.reindex(lines.index) - lines = reindexed.dropna(subset=['atomic_number']) - return lines, lines['nu'], lines['f_lu'], lines['wavelength_cm'] - -class LinesLowerLevelIndex(ProcessingPlasmaProperty): - """ - Outputs: - lines_lower_level_index : One-dimensional Numpy Array - Levels data for lower levels of particular lines - Usage: levels.ix[lines_lower_level_index] - """ - outputs = ('lines_lower_level_index',) - - def calculate(self, levels, lines): - levels_index = pd.Series(np.arange(len(levels), dtype=np.int64), - index=levels) - lines_index = lines.set_index( - ['atomic_number', 'ion_number', - 'level_number_lower']).index - return np.array(levels_index.ix[lines_index]) - -class LinesUpperLevelIndex(ProcessingPlasmaProperty): - """ - Outputs: - lines_upper_level_index : One-dimensional Numpy Array - Levels data for upper levels of particular lines - Usage: levels.ix[lines_upper_level_index] - """ - outputs = ('lines_upper_level_index',) - - def calculate(self, levels, lines): - levels_index = pd.Series(np.arange(len(levels), dtype=np.int64), - index=levels) - lines_index = lines.set_index( - ['atomic_number', 'ion_number', - 'level_number_upper']).index - return np.array(levels_index.ix[lines_index]) - -class IonCXData(BaseAtomicDataProperty): - outputs = ('ion_cx_data',) - - def _filter_atomic_property(self, ion_cx_data, selected_atoms): - return ion_cx_data[ion_cx_data.atomic_number.isin([selected_atoms] - if np.isscalar( - selected_atoms) - else selected_atoms)] - - def _set_index(self, ion_cx_data): - return ion_cx_data.set_index(['atomic_number', 'ion_number', - 'level_number']) - -class AtomicMass(ProcessingPlasmaProperty): - """ - Outputs: - atomic_mass : Pandas Series - Atomic masses of the elements used, indexed by atomic number - """ - outputs = ('atomic_mass',) - - def calculate(self, atomic_data, selected_atoms): - if getattr(self, self.outputs[0]) is not None: - return getattr(self, self.outputs[0]), - else: - return atomic_data.atom_data.ix[selected_atoms].mass - -class IonizationData(BaseAtomicDataProperty): - """ - Outputs: - ionization_data : Pandas DataFrame - Ionization energies of the elements used - """ - outputs = ('ionization_data',) - - def _filter_atomic_property(self, ionization_data, selected_atoms): - ionization_data['atomic_number'] = ionization_data.index.labels[0] + 1 - ionization_data['ion_number'] = ionization_data.index.labels[1] + 1 - ionization_data = ionization_data[ionization_data.atomic_number.isin( - selected_atoms)] - ion_data_check = counter(ionization_data.atomic_number.values) - keys = np.array(ion_data_check.keys()) - values = np.array(ion_data_check.values()) - if np.alltrue(keys == values): - return ionization_data - else: - raise IncompleteAtomicData('ionization data for the ion (' + - str(keys[keys != values]) + - str(values[keys != values]) + ')') - - def _set_index(self, ionization_data): - return ionization_data.set_index(['atomic_number', 'ion_number']) - -class ZetaData(BaseAtomicDataProperty): - """ - Outputs: - zeta_data : Pandas DataFrame - Zeta data for the elements used - Required for the nebular ionization scheme. - The zeta value represents the fraction of recombination events - from the ionized state that go directly to the ground state. - """ - outputs = ('zeta_data',) - - def _filter_atomic_property(self, zeta_data, selected_atoms): - zeta_data['atomic_number'] = zeta_data.index.labels[0] + 1 - zeta_data['ion_number'] = zeta_data.index.labels[1] + 1 - zeta_data = zeta_data[zeta_data.atomic_number.isin(selected_atoms)] - zeta_data_check = counter(zeta_data.atomic_number.values) - keys = np.array(zeta_data_check.keys()) - values = np.array(zeta_data_check.values()) - if np.alltrue(keys + 1 == values): - return zeta_data - else: -# raise IncompleteAtomicData('zeta data') -# This currently replaces missing zeta data with 1, which is necessary with -# the present atomic data. Will replace with the error above when I have -# complete atomic data. - logger.warn('Zeta_data missing - replaced with 1s') - updated_index = [] - for atom in selected_atoms: - for ion in range(1, atom + 2): - updated_index.append([atom, ion]) - updated_index = np.array(updated_index) - updated_dataframe = pd.DataFrame(index=pd.MultiIndex.from_arrays( - updated_index.transpose().astype(int)), - columns=zeta_data.columns) - for value in range(len(zeta_data)): - updated_dataframe.ix[zeta_data.atomic_number.values[value]].ix[ - zeta_data.ion_number.values[value]] = \ - zeta_data.ix[zeta_data.atomic_number.values[value]].ix[ - zeta_data.ion_number.values[value]] - updated_dataframe = updated_dataframe.astype(float) - updated_index = pd.DataFrame(updated_index) - updated_dataframe['atomic_number'] = np.array(updated_index[0]) - updated_dataframe['ion_number'] = np.array(updated_index[1]) - updated_dataframe.fillna(1.0, inplace=True) - return updated_dataframe - - def _set_index(self, zeta_data): - return zeta_data.set_index(['atomic_number', 'ion_number']) - -class NLTEData(ProcessingPlasmaProperty): - outputs = ('nlte_data',) - - def calculate(self, atomic_data): - if getattr(self, self.outputs[0]) is not None: - return (getattr(self, self.outputs[0]),) - else: - return atomic_data.nlte_data diff --git a/tardis/plasma/properties/base.py b/tardis/plasma/properties/base.py deleted file mode 100644 index 92709327b9b..00000000000 --- a/tardis/plasma/properties/base.py +++ /dev/null @@ -1,96 +0,0 @@ -from abc import ABCMeta, abstractmethod, abstractproperty -import logging - -logger = logging.getLogger(__name__) - -class BasePlasmaProperty(object): - __metaclass__ = ABCMeta - - @abstractproperty - def outputs(self): - pass - - @property - def name(self): - return self.__class__.__name__ - - def __init__(self): - for output in self.outputs: - setattr(self, output, None) - - def _update_type_str(self): - """ - Get type string for Label - - Returns - ------- - : ~str - - """ - self.type_str = repr(type(self.value)) - - - def get_latex_label(self): - latex_template = r"""\textbf{{Name}} {name} -\textbf{{Formula}} {formula} -{description} -""" - outputs = self.outputs.replace('_', r'\_') - latex_name = getattr(self, 'latex_name', '') - if latex_name != '': - complete_name = '{0} [{1}]'.format(latex_name, self.latex_name) - else: - complete_name = latex_name - - - latex_label = latex_template.format(name=complete_name, - formula=getattr(self, - 'latex_formula', '--'), - description=getattr(self, - 'latex_description', - '')) - return latex_label.replace('\\', r'\\') - -class ProcessingPlasmaProperty(BasePlasmaProperty): - __metaclass__ = ABCMeta - - def __init__(self, plasma_parent): - super(ProcessingPlasmaProperty, self).__init__() - self.plasma_parent = plasma_parent - self._update_inputs() - - def _update_inputs(self): - """ - This function uses the CPython API to read the variable names from the - `calculate`-function and makes the plasma routines easily programmable. - """ - calculate_call_signature = self.calculate.func_code.co_varnames[ - :self.calculate.func_code.co_argcount] - self.inputs = [item for item in calculate_call_signature if - item != 'self'] - - - def _get_input_values(self): - return (self.plasma_parent.get_value(item) for item in self.inputs) - - def update(self): - """ - Updates the processing Plasma by calling the `calculate`-method with - the required inputs - - :return: - """ - - if len(self.outputs) == 1: - setattr(self, self.outputs[0], self.calculate( - *self._get_input_values())) - else: - new_values = self.calculate(*self._get_input_values()) - for i, output in enumerate(self.outputs): - setattr(self, output, new_values[i]) - - - @abstractmethod - def calculate(self, *args, **kwargs): - raise NotImplementedError('This method needs to be implemented by ' - 'processing plasma modules') diff --git a/tardis/plasma/properties/general.py b/tardis/plasma/properties/general.py deleted file mode 100644 index 8be2ade1aeb..00000000000 --- a/tardis/plasma/properties/general.py +++ /dev/null @@ -1,92 +0,0 @@ -import logging - -import numpy as np -from astropy import constants as const - -from tardis.plasma.properties.base import ProcessingPlasmaProperty - -logger = logging.getLogger(__name__) - -__all__ = ['BetaRadiation', 'GElectron', 'NumberDensity', 'SelectedAtoms', - 'ElectronTemperature', 'BetaElectron'] - -class BetaRadiation(ProcessingPlasmaProperty): - """ - Outputs: - beta_rad : Numpy Array - """ - outputs = ('beta_rad',) - latex_name = ('\\beta_{\\textrm{rad}}',) - latex_formula = ('\\dfrac{1}{k_{B} T_{\\textrm{rad}}}',) - - def __init__(self, plasma_parent): - super(BetaRadiation, self).__init__(plasma_parent) - self.k_B_cgs = const.k_B.cgs.value - - def calculate(self, t_rad): - return 1 / (self.k_B_cgs * t_rad) - -class GElectron(ProcessingPlasmaProperty): - """ - Outputs: - g_electron : Numpy Array - """ - outputs = ('g_electron',) - latex_name = ('g_{\\textrm{electron}}',) - latex_formula = ('\\Big(\\dfrac{2\\pi m_{e}/\ - \\beta_{\\textrm{rad}}}{h^2}\\Big)^{3/2}',) - - def calculate(self, beta_rad): - return ((2 * np.pi * const.m_e.cgs.value / beta_rad) / - (const.h.cgs.value ** 2)) ** 1.5 - -class NumberDensity(ProcessingPlasmaProperty): - """ - Outputs: - number_density : Pandas DataFrame - """ - outputs = ('number_density',) - latex_name = ('N_{i}',) - - def calculate(self, atomic_mass, abundance, density): - number_densities = (abundance * density) - return number_densities.div(atomic_mass.ix[abundance.index], axis=0) - -class SelectedAtoms(ProcessingPlasmaProperty): - """ - Outputs: - selected_atoms : Numpy Array - Elements required for particular simulation - """ - outputs = ('selected_atoms',) - - def calculate(self, abundance): - return abundance.index - -class ElectronTemperature(ProcessingPlasmaProperty): - """ - Outputs: - t_electron : Numpy Array - """ - outputs = ('t_electrons',) - latex_name = ('T_{\\textrm{electron}}',) - latex_formula = ('\\textrm{const.}\\times T_{\\textrm{rad}}',) - - def calculate(self, t_rad, link_t_rad_t_electron): - return t_rad * link_t_rad_t_electron - -class BetaElectron(ProcessingPlasmaProperty): - """ - Outputs: - beta_electron : Numpy Array - """ - outputs = ('beta_electron',) - latex_name = ('\\beta_{\\textrm{electron}}',) - latex_formula = ('\\frac{1}{K_{B} T_{\\textrm{electron}}}',) - - def __init__(self, plasma_parent): - super(BetaElectron, self).__init__(plasma_parent) - self.k_B_cgs = const.k_B.cgs.value - - def calculate(self, t_electrons): - return 1 / (self.k_B_cgs * t_electrons) diff --git a/tardis/plasma/properties/ion_population.py b/tardis/plasma/properties/ion_population.py deleted file mode 100644 index dee616b9f43..00000000000 --- a/tardis/plasma/properties/ion_population.py +++ /dev/null @@ -1,195 +0,0 @@ -import logging - -import numpy as np -import pandas as pd -from scipy import interpolate - -from tardis.plasma.properties.base import ProcessingPlasmaProperty -from tardis.plasma.exceptions import PlasmaIonizationError - -logger = logging.getLogger(__name__) - -__all__ = ['PhiSahaNebular', 'PhiSahaLTE', 'RadiationFieldCorrection', - 'IonNumberDensity', 'PhiGeneral'] - -class PhiGeneral(ProcessingPlasmaProperty): - """ - Outputs: - general_phi : Pandas DataFrame - Used as basis for PhiSahaLTE and PhiSahaNebular. Identical output to - PhiSahaLTE. Separate property required as PhiSahaNebular is based - on PhiSahaLTE, but the code cannot deal with the inclusion of two - properties that generate a property called 'phi'. - """ - outputs = ('general_phi',) - latex_name = ('\\Phi_{\\textrm{LTE}}',) - latex_formula = ('\\dfrac{2Z_{i,j+1}}{Z_{i,j}}\\Big(\ - \\dfrac{2\\pi m_{e}/\\beta_{\\textrm{rad}}}{h^2}\ - \\Big)^{3/2}e^{\\dfrac{-\\chi_{i,j}}{kT_{\ - \\textrm{rad}}}}',) - - def calculate(self, g_electron, beta_rad, partition_function, - ionization_data): - def calculate_phis(group): - return group[1:] / group[:-1].values - - phis = partition_function.groupby(level='atomic_number').apply( - calculate_phis) - phis = pd.DataFrame(phis.values, index=phis.index.droplevel(0)) - phi_coefficient = (2 * g_electron * np.exp(np.outer( - ionization_data.ionization_energy.ix[phis.index].values, - -beta_rad))) - return phis * phi_coefficient - -class PhiSahaNebular(ProcessingPlasmaProperty): - """ - Outputs: - phi_saha_nebular: Pandas DataFrame - The ionization equilibrium as calculated using a modified version of - the Saha equation that accounts for dilution of the radiation field. - """ - outputs = ('phi',) - latex_name = ('\\Phi',) - latex_formula = ('W(\\delta\\zeta_{i,j}+W(1-\\zeta_{i,j}))\\left(\ - \\dfrac{T_{\\textrm{electron}}}{T_{\\textrm{rad}}}\ - \\right)^{1/2}',) - - def calculate(self, general_phi, t_rad, w, zeta_data, t_electrons, delta): - try: - zeta = interpolate.interp1d(zeta_data.columns.values, zeta_data.ix[ - general_phi.index].values)(t_rad) - zeta = zeta.astype(float) - except ValueError: - raise ValueError('t_rads outside of zeta factor interpolation' - ' zeta_min={0:.2f} zeta_max={1:.2f} ' - '- requested {2}'.format( - zeta_data.columns.values.min(), zeta_data.columns.values.max(), - t_rad)) - phis = general_phi * delta * w * (zeta + w * (1 - zeta)) * \ - (t_electrons/t_rad) ** .5 - return phis - -class PhiSahaLTE(ProcessingPlasmaProperty): - """ - Outputs: - phi_saha_lte: Pandas DataFrame - The ionization equilibrium as calculated using the Saha equation. - """ - outputs = ('phi',) - latex_name = ('\\Phi',) - latex_formula = ('\\Phi_{\\textrm{LTE}}',) - - def calculate(self, general_phi): - return general_phi - -class RadiationFieldCorrection(ProcessingPlasmaProperty): - """ - Outputs: - delta: Pandas DataFrame - Calculates the radiation field correction (see Mazzali & Lucy, 1993) if - not given as input in the config. file. The default chi_0_species is - Ca II, which is good for type Ia supernovae. For type II supernovae, - (1, 1) should be used. - """ - outputs = ('delta',) - latex_name = ('\\delta',) - - def __init__(self, plasma_parent, departure_coefficient=None, - chi_0_species=(20,2)): - super(RadiationFieldCorrection, self).__init__(plasma_parent) - self.departure_coefficient = departure_coefficient - self.chi_0_species = chi_0_species - - def calculate(self, w, ionization_data, beta_rad, t_electrons, t_rad, - beta_electron, delta_input): - if delta_input is None: - if self.departure_coefficient is None: - departure_coefficient = 1. / w - else: - departure_coefficient = self.departure_coefficient - chi_0_species=self.chi_0_species - chi_0 = ionization_data.ionization_energy.ix[chi_0_species] - radiation_field_correction = -np.ones((len(ionization_data), len( - beta_rad))) - less_than_chi_0 = ( - ionization_data.ionization_energy < chi_0).values - factor_a = (t_electrons / (departure_coefficient * w * t_rad)) - radiation_field_correction[~less_than_chi_0] = factor_a * \ - np.exp(np.outer(ionization_data.ionization_energy.values[ - ~less_than_chi_0], beta_rad - beta_electron)) - radiation_field_correction[less_than_chi_0] = 1 - np.exp(np.outer( - ionization_data.ionization_energy.values[less_than_chi_0], - beta_rad) - beta_rad * chi_0) - radiation_field_correction[less_than_chi_0] += factor_a * np.exp( - np.outer(ionization_data.ionization_energy.values[ - less_than_chi_0],beta_rad) - chi_0 * beta_electron) - else: - radiation_field_correction = np.ones((len(ionization_data), - len(beta_rad))) * delta_input - delta = pd.DataFrame(radiation_field_correction, - columns=np.arange(len(t_rad)), index=ionization_data.index) - return delta - -class IonNumberDensity(ProcessingPlasmaProperty): - """ - Outputs: - ion_number_density: Pandas DataFrame - electron_densities: Numpy Array - Convergence process to find the correct solution. A trial value for - the electron density is initiated in a particular zone. The ion - number densities are then calculated using the Saha equation. The - electron density is then re-calculated by using the ion number - densities to sum over the number of free electrons. If the two values - for the electron densities are not similar to within the threshold - value, a new guess for the value of the electron density is chosen - and the process is repeated. - """ - outputs = ('ion_number_density', 'electron_densities') - latex_name = ('N_{i,j}','n_{e}',) - - def __init__(self, plasma_parent, ion_zero_threshold=1e-20): - super(IonNumberDensity, self).__init__(plasma_parent) - self.ion_zero_threshold = ion_zero_threshold - - def calculate_with_n_electron(self, phi, partition_function, - number_density, n_electron): - ion_populations = pd.DataFrame(data=0.0, - index=partition_function.index.copy(), - columns=partition_function.columns.copy(), dtype=np.float64) - - for atomic_number, groups in phi.groupby(level='atomic_number'): - current_phis = (groups / n_electron).replace(np.nan, 0.0).values - phis_product = np.cumproduct(current_phis, axis=0) - neutral_atom_density = (number_density.ix[atomic_number] / - (1 + np.sum(phis_product, axis=0))) - ion_populations.ix[atomic_number, 0] = ( - neutral_atom_density.values) - ion_populations.ix[atomic_number].values[1:] = ( - neutral_atom_density.values * phis_product) - ion_populations[ion_populations < self.ion_zero_threshold] = 0.0 - return ion_populations - - def calculate(self, phi, partition_function, number_density): - n_e_convergence_threshold = 0.05 - n_electron = number_density.sum(axis=0) - n_electron_iterations = 0 - while True: - ion_number_density = self.calculate_with_n_electron( - phi, partition_function, number_density, n_electron) - ion_numbers = ion_number_density.index.get_level_values(1).values - ion_numbers = ion_numbers.reshape((ion_numbers.shape[0], 1)) - new_n_electron = (ion_number_density.values * ion_numbers).sum( - axis=0) - if np.any(np.isnan(new_n_electron)): - raise PlasmaIonizationError('n_electron just turned "nan" -' - ' aborting') - n_electron_iterations += 1 - if n_electron_iterations > 100: - logger.warn('n_electron iterations above 100 ({0}) -' - ' something is probably wrong'.format( - n_electron_iterations)) - if np.all(np.abs(new_n_electron - n_electron) - / n_electron < n_e_convergence_threshold): - break - n_electron = 0.5 * (new_n_electron + n_electron) - return ion_number_density, n_electron diff --git a/tardis/plasma/properties/level_population.py b/tardis/plasma/properties/level_population.py deleted file mode 100644 index d7846787ac3..00000000000 --- a/tardis/plasma/properties/level_population.py +++ /dev/null @@ -1,26 +0,0 @@ -import logging - -from tardis.plasma.properties.base import ProcessingPlasmaProperty - -logger = logging.getLogger(__name__) - -__all__ = ['LevelNumberDensity'] - -class LevelNumberDensity(ProcessingPlasmaProperty): - """ - Outputs: - level_number_density : Pandas DataFrame - """ - outputs = ('level_number_density',) - latex_name = ('N_{i,j,k}',) - latex_formula = ('N_{i,j}\\dfrac{bf_{i,j,k}}{Z_{i,j}}',) - - def calculate(self, level_boltzmann_factor, ion_number_density, - levels, partition_function): - partition_function_broadcast = partition_function.ix[ - levels.droplevel(2)].values - level_population_fraction = level_boltzmann_factor /\ - partition_function_broadcast - ion_number_density_broadcast = ion_number_density.ix[ - level_population_fraction.index.droplevel(2)].values - return level_population_fraction * ion_number_density_broadcast \ No newline at end of file diff --git a/tardis/plasma/properties/nlte.py b/tardis/plasma/properties/nlte.py deleted file mode 100644 index d0246fdcf4e..00000000000 --- a/tardis/plasma/properties/nlte.py +++ /dev/null @@ -1,17 +0,0 @@ -from tardis.plasma.properties.base import BasePlasmaProperty - -__all__ = ['PreviousElectronDensities', 'PreviousBetaSobolevs'] - -class PreviousIterationProperty(BasePlasmaProperty): - def _set_output_value(self, output, value): - setattr(self, output, value) - - def set_value(self, value): - assert len(self.outputs) == 1 - self._set_output_value(self.outputs[0], value) - -class PreviousElectronDensities(PreviousIterationProperty): - outputs = ('previous_electron_densities',) - -class PreviousBetaSobolevs(PreviousIterationProperty): - outputs = ('previous_beta_sobolevs',) \ No newline at end of file diff --git a/tardis/plasma/properties/partition_function.py b/tardis/plasma/properties/partition_function.py deleted file mode 100644 index bef2600cb47..00000000000 --- a/tardis/plasma/properties/partition_function.py +++ /dev/null @@ -1,189 +0,0 @@ -import logging - -import numpy as np -import pandas as pd - -from tardis.plasma.properties.base import ProcessingPlasmaProperty -from tardis.plasma.exceptions import PlasmaConfigContradiction - -logger = logging.getLogger(__name__) - -__all__ = ['LevelBoltzmannFactorLTE', 'LevelBoltzmannFactorDiluteLTE', - 'LevelBoltzmannFactorNoNLTE', 'LevelBoltzmannFactorNLTE', - 'PartitionFunction'] - -class LevelBoltzmannFactorLTE(ProcessingPlasmaProperty): - """ - Outputs: - level_boltzmann_factor : Pandas DataFrame - """ - outputs = ('general_level_boltzmann_factor',) - latex_name = ('bf_{i,j,k}',) - latex_formula = ('g_{i,j,k}e^{\\dfrac{-\\epsilon_{i,j,k}}{k_{\ - \\textrm{B}}T_{\\textrm{rad}}}}',) - - def calculate(self, excitation_energy, g, beta_rad, levels): - exponential = np.exp(np.outer(excitation_energy.values, -beta_rad)) - level_boltzmann_factor_array = (g.values[np.newaxis].T * - exponential) - level_boltzmann_factor = pd.DataFrame(level_boltzmann_factor_array, - index=levels, - columns=np.arange(len(beta_rad)), - dtype=np.float64) - return level_boltzmann_factor - -class LevelBoltzmannFactorDiluteLTE(ProcessingPlasmaProperty): - """ - Outputs: - level_boltzmann_factor : Pandas DataFrame - """ - outputs = ('general_level_boltzmann_factor',) - latex_name = ('bf_{i,j,k}',) - latex_formula = ('Wg_{i,j,k}e^{\\dfrac{-\\epsilon_{i,j,k}}{k_{\ - \\textrm{B}}T_{\\textrm{rad}}}}',) - - def calculate(self, levels, g, excitation_energy, beta_rad, w, - metastability): - exponential = np.exp(np.outer(excitation_energy.values, -beta_rad)) - level_boltzmann_factor_array = (g.values[np.newaxis].T * - exponential) - level_boltzmann_factor = pd.DataFrame(level_boltzmann_factor_array, - index=levels, - columns=np.arange(len(beta_rad)), - dtype=np.float64) - level_boltzmann_factor[~metastability] *= w - return level_boltzmann_factor - -class LevelBoltzmannFactorNoNLTE(ProcessingPlasmaProperty): - - outputs = ('level_boltzmann_factor',) - - @staticmethod - def calculate(general_level_boltzmann_factor): - return general_level_boltzmann_factor - -class LevelBoltzmannFactorNLTE(ProcessingPlasmaProperty): - outputs = ('level_boltzmann_factor',) - - def calculate(self): - pass - - def __init__(self, plasma_parent, classical_nebular=False, - coronal_approximation=False): - super(LevelBoltzmannFactorNLTE, self).__init__(plasma_parent) - if classical_nebular == True and coronal_approximation == False: - self.calculate = self._calculate_classical_nebular - elif coronal_approximation == True and classical_nebular == False: - self.calculate = self._calculate_coronal_approximation - elif coronal_approximation == True and classical_nebular == True: - raise PlasmaConfigContradiction - else: - self.calculate = self._calculate_general - self._update_inputs() - - def _main_nlte_calculation(self, nlte_species, atomic_data, nlte_data, - t_electrons, j_blues, beta_sobolevs, general_level_boltzmann_factor, - previous_electron_densities): - for species in nlte_species: - j_blues = j_blues.values - logger.info('Calculating rates for species %s', species) - number_of_levels = atomic_data.levels.energy.ix[species].count() - lnl = nlte_data.lines_level_number_lower[species] - lnu = nlte_data.lines_level_number_upper[species] - lines_index = nlte_data.lines_idx[species] - A_uls = nlte_data.A_uls[species] - B_uls = nlte_data.B_uls[species] - B_lus = nlte_data.B_lus[species] - r_lu_index = lnu * number_of_levels + lnl - r_ul_index = lnl * number_of_levels + lnu - r_ul_matrix = np.zeros((number_of_levels, number_of_levels, - len(t_electrons)), dtype=np.float64) - r_ul_matrix_reshaped = r_ul_matrix.reshape((number_of_levels**2, - len(t_electrons))) - r_ul_matrix_reshaped[r_ul_index] = A_uls[np.newaxis].T + \ - B_uls[np.newaxis].T * j_blues[lines_index] - r_ul_matrix_reshaped[r_ul_index] *= beta_sobolevs[lines_index] - r_lu_matrix = np.zeros_like(r_ul_matrix) - r_lu_matrix_reshaped = r_lu_matrix.reshape((number_of_levels**2, - len(t_electrons))) - r_lu_matrix_reshaped[r_lu_index] = B_lus[np.newaxis].T * \ - j_blues[lines_index] * beta_sobolevs[lines_index] - if atomic_data.has_collision_data: - if previous_electron_densities is None: - collision_matrix = r_ul_matrix.copy() - collision_matrix.fill(0.0) - else: - collision_matrix = nlte_data.get_collision_matrix(species, - t_electrons) * previous_electron_densities.values - else: - collision_matrix = r_ul_matrix.copy() - collision_matrix.fill(0.0) - rates_matrix = r_lu_matrix + r_ul_matrix + collision_matrix - for i in xrange(number_of_levels): - rates_matrix[i, i] = -rates_matrix[:, i].sum(axis=0) - rates_matrix[0, :, :] = 1.0 - x = np.zeros(rates_matrix.shape[0]) - x[0] = 1.0 - for i in xrange(len(t_electrons)): - level_boltzmann_factor = \ - np.linalg.solve(rates_matrix[:, :, i], x) - general_level_boltzmann_factor[i].ix[species] = \ - level_boltzmann_factor - return general_level_boltzmann_factor - - def _calculate_classical_nebular(self, t_electrons, lines, atomic_data, - nlte_data, general_level_boltzmann_factor, nlte_species, j_blues, - previous_beta_sobolevs, lte_j_blues, previous_electron_densities): - beta_sobolevs = np.ones((len(lines), len(t_electrons))) - if len(j_blues)==0: - j_blues = lte_j_blues - else: - j_blues = pd.DataFrame(j_blues, index=lines.index, columns = - range(len(t_electrons))) - general_level_boltzmann_factor = self._main_nlte_calculation( - nlte_species, atomic_data, nlte_data, t_electrons, j_blues, - beta_sobolevs, general_level_boltzmann_factor, - previous_electron_densities) - return general_level_boltzmann_factor - - def _calculate_coronal_approximation(self, t_electrons, lines, atomic_data, - nlte_data, general_level_boltzmann_factor, nlte_species, - previous_electron_densities): - beta_sobolevs = np.ones((len(lines), len(t_electrons))) - j_blues = np.zeros((len(lines), len(t_electrons))) - general_level_boltzmann_factor = self._main_nlte_calculation( - nlte_species, atomic_data, nlte_data, t_electrons, j_blues, - beta_sobolevs, general_level_boltzmann_factor, - previous_electron_densities) - return general_level_boltzmann_factor - - def _calculate_general(self, t_electrons, lines, atomic_data, nlte_data, - general_level_boltzmann_factor, nlte_species, j_blues, - previous_beta_sobolevs, lte_j_blues, previous_electron_densities): - if previous_beta_sobolevs is None: - beta_sobolevs = np.ones((len(lines), len(t_electrons))) - else: - beta_sobolevs = previous_beta_sobolevs - if len(j_blues)==0: - j_blues = lte_j_blues - else: - j_blues = pd.DataFrame(j_blues, index=lines.index, columns = - range(len(t_electrons))) - general_level_boltzmann_factor = self._main_nlte_calculation( - nlte_species, atomic_data, nlte_data, t_electrons, j_blues, - beta_sobolevs, general_level_boltzmann_factor, - previous_electron_densities) - return general_level_boltzmann_factor - -class PartitionFunction(ProcessingPlasmaProperty): - """ - Outputs: - partition_function : Pandas DataFrame - """ - outputs = ('partition_function',) - latex_name = ('Z_{i,j}',) - latex_formula = ('\\sum_{k}bf_{i,j,k}',) - - def calculate(self, level_boltzmann_factor): - return level_boltzmann_factor.groupby( - level=['atomic_number', 'ion_number']).sum() diff --git a/tardis/plasma/properties/plasma_input.py b/tardis/plasma/properties/plasma_input.py deleted file mode 100644 index e09c43de02c..00000000000 --- a/tardis/plasma/properties/plasma_input.py +++ /dev/null @@ -1,88 +0,0 @@ -import numpy as np -import pandas as pd -from tardis.plasma.properties.base import BasePlasmaProperty - -__all__ = ['TRadiative', 'DilutionFactor', 'AtomicData', 'Abundance', 'Density', - 'TimeExplosion', 'JBlues', 'LinkTRadTElectron', 'NLTESpecies', - 'RadiationFieldCorrectionInput'] - -class Input(BasePlasmaProperty): - - def _set_output_value(self, output, value): - setattr(self, output, value) - - def set_value(self, value): - assert len(self.outputs) == 1 - self._set_output_value(self.outputs[0], value) - -class StaticInput(Input): - pass - -class DynamicInput(Input): - pass - -class ArrayInput(DynamicInput): - def _set_output_value(self, output, value): - setattr(self, output, np.array(value, copy=False)) - -class DataFrameInput(DynamicInput): - def _set_output_value(self, output, value): - setattr(self, output, np.array(pd.DataFrame(value), copy=False)) - -class TRadiative(ArrayInput): - """ - Outputs: - t_rad : Numpy Array - """ - outputs = ('t_rad',) - latex_name = ('T_{\\textrm{rad}}',) - -class DilutionFactor(ArrayInput): - """ - Outputs: - w : Numpy Array - Factor used in nebular ionisation / dilute excitation calculations - to account for the dilution of the radiation field. - """ - outputs = ('w',) - latex_name = ('W',) - -class AtomicData(StaticInput): - outputs = ('atomic_data',) - -class Abundance(DynamicInput): - outputs = ('abundance',) - -class RadiationFieldCorrectionInput(StaticInput): - """ - Outputs: - delta_input : Numpy Array - Used to adjust the ionisation balance to account for greater line - blanketing in the blue. - """ - outputs = ('delta_input',) - latex_name = ('\\delta_{\\textrm{input}}',) - -class Density(ArrayInput): - outputs = ('density',) - latex_name = ('\\rho',) - -class TimeExplosion(DynamicInput): - outputs = ('time_explosion',) - latex_name = ('t_{\\textrm{exp}}',) - -class JBlues(DataFrameInput): - """ - Outputs: - j_blues : Pandas DataFrame - Mean intensity in the blue wing of each line. - """ - outputs = ('j_blues',) - latex_name = ('J_{lu}^{b}',) - -class LinkTRadTElectron(StaticInput): - outputs = ('link_t_rad_t_electron',) - latex_name = ('T_{\\textrm{electron}}/T_{\\textrm{rad}}',) - -class NLTESpecies(StaticInput): - outputs = ('nlte_species',) diff --git a/tardis/plasma/properties/properties.py b/tardis/plasma/properties/properties.py deleted file mode 100644 index 43e6f024367..00000000000 --- a/tardis/plasma/properties/properties.py +++ /dev/null @@ -1,3 +0,0 @@ -#### Importing properties from other modules ######## - -###################################################### \ No newline at end of file diff --git a/tardis/plasma/properties/property_collections.py b/tardis/plasma/properties/property_collections.py deleted file mode 100644 index f4a73fbdc6f..00000000000 --- a/tardis/plasma/properties/property_collections.py +++ /dev/null @@ -1,37 +0,0 @@ -from tardis.plasma.properties import (BetaRadiation, LevelBoltzmannFactorLTE, - Levels, Lines, AtomicMass, PartitionFunction, - LevelNumberDensity, PhiSahaLTE, GElectron, - IonizationData, NumberDensity, IonNumberDensity, LinesLowerLevelIndex, - LinesUpperLevelIndex, TauSobolev, TRadiative, AtomicData, Abundance, - Density, TimeExplosion, BetaSobolev, JBlues, - TransitionProbabilities, StimulatedEmissionFactor, SelectedAtoms, - PhiGeneral, PhiSahaNebular, LevelBoltzmannFactorDiluteLTE, DilutionFactor, - ZetaData, ElectronTemperature, LinkTRadTElectron, BetaElectron, - RadiationFieldCorrection, RadiationFieldCorrectionInput, - LevelBoltzmannFactorNoNLTE, LevelBoltzmannFactorNLTE, NLTEData, - NLTESpecies, PreviousBetaSobolevs, LTEJBlues, - PreviousElectronDensities) - -class PlasmaPropertyCollection(list): - pass - -basic_inputs = PlasmaPropertyCollection([TRadiative, Abundance, Density, - TimeExplosion, AtomicData, JBlues, DilutionFactor, LinkTRadTElectron, - RadiationFieldCorrectionInput, NLTESpecies, PreviousBetaSobolevs, - PreviousElectronDensities]) -basic_properties = PlasmaPropertyCollection([BetaRadiation, - Levels, Lines, AtomicMass, PartitionFunction, - GElectron, IonizationData, NumberDensity, LinesLowerLevelIndex, - LinesUpperLevelIndex, TauSobolev, LevelNumberDensity, IonNumberDensity, - StimulatedEmissionFactor, SelectedAtoms, PhiGeneral, ElectronTemperature]) -lte_ionization_properties = PlasmaPropertyCollection([PhiSahaLTE]) -lte_excitation_properties = PlasmaPropertyCollection([LevelBoltzmannFactorLTE]) -macro_atom_properties = PlasmaPropertyCollection([BetaSobolev, - TransitionProbabilities]) -nebular_ionization_properties = PlasmaPropertyCollection([PhiSahaNebular, - ZetaData, BetaElectron, RadiationFieldCorrection]) -dilute_lte_excitation_properties = PlasmaPropertyCollection([ - LevelBoltzmannFactorDiluteLTE]) -non_nlte_properties = PlasmaPropertyCollection([LevelBoltzmannFactorNoNLTE]) -nlte_properties = PlasmaPropertyCollection([ - LevelBoltzmannFactorNLTE, NLTEData, NLTESpecies, LTEJBlues]) diff --git a/tardis/plasma/properties/radiative_properties.py b/tardis/plasma/properties/radiative_properties.py deleted file mode 100644 index 6ce29dc554e..00000000000 --- a/tardis/plasma/properties/radiative_properties.py +++ /dev/null @@ -1,172 +0,0 @@ -import logging - -import numpy as np -import pandas as pd -from astropy import units as u, constants as const - -from tardis.plasma.properties.base import ProcessingPlasmaProperty -from tardis import macro_atom - -logger = logging.getLogger(__name__) - -__all__ = ['StimulatedEmissionFactor', 'TauSobolev', 'BetaSobolev', - 'TransitionProbabilities', 'LTEJBlues'] - -class StimulatedEmissionFactor(ProcessingPlasmaProperty): - """ - Outputs: - stimulated_emission_factor : Numpy Array [len(lines), len(t_rad)] - """ - outputs = ('stimulated_emission_factor',) - latex_formula = ('1-\\dfrac{g_{lower}n_{upper}}{g_{upper}n_{lower}}',) - - def __init__(self, plasma_parent): - super(StimulatedEmissionFactor, self).__init__(plasma_parent) - self._g_upper = None - self._g_lower = None - - def get_g_lower(self, g, lines_lower_level_index): - if self._g_lower is None: - g_lower = np.array(g.ix[lines_lower_level_index], - dtype=np.float64) - self._g_lower = g_lower[np.newaxis].T - return self._g_lower - - def get_g_upper(self, g, lines_upper_level_index): - if self._g_upper is None: - g_upper = np.array(g.ix[lines_upper_level_index], - dtype=np.float64) - self._g_upper = g_upper[np.newaxis].T - return self._g_upper - - def calculate(self, g, level_number_density, lines_lower_level_index, - lines_upper_level_index, metastability, nlte_species, lines): - n_lower = level_number_density.values.take(lines_lower_level_index, - axis=0, mode='raise').copy('F') - n_upper = level_number_density.values.take(lines_upper_level_index, - axis=0, mode='raise').copy('F') - meta_stable_upper = metastability.values.take( - lines_upper_level_index, axis=0, mode='raise')[np.newaxis].T - g_lower = self.get_g_lower(g, lines_lower_level_index) - g_upper = self.get_g_upper(g, lines_upper_level_index) - stimulated_emission_factor = 1 - ((g_lower * n_upper) / - (g_upper * n_lower)) - stimulated_emission_factor[n_lower == 0.0] = 0.0 - stimulated_emission_factor[np.isneginf(stimulated_emission_factor)]\ - = 0.0 - stimulated_emission_factor[meta_stable_upper & - (stimulated_emission_factor < 0)] = 0.0 - if nlte_species: - nlte_lines_mask = \ - np.zeros(stimulated_emission_factor.shape[0]).astype(bool) - for species in nlte_species: - nlte_lines_mask |= (lines.atomic_number == species[0]) & \ - (lines.ion_number == species[1]) - stimulated_emission_factor[(stimulated_emission_factor < 0) & - nlte_lines_mask[np.newaxis].T] = 0.0 - return stimulated_emission_factor - -class TauSobolev(ProcessingPlasmaProperty): - """ - Outputs: - tau_sobolev : Pandas DataFrame - Sobolev optical depth for each line. - """ - outputs = ('tau_sobolevs',) - latex_name = ('\\tau_{\\textrm{sobolev}}',) - latex_formula = ('\\dfrac{\\pi e^{2}}{m_{e} c}f_{lu}\\lambda t_{exp}\ - n_{lower} \\Big(1-\\dfrac{g_{lower}n_{upper}}{g_{upper}n_{lower}}\\Big)',) - - def __init__(self, plasma_parent): - super(TauSobolev, self).__init__(plasma_parent) - self.sobolev_coefficient = (((np.pi * const.e.gauss ** 2) / - (const.m_e.cgs * const.c.cgs)) - * u.cm * u.s / u.cm**3).to(1).value - - def calculate(self, lines, level_number_density, lines_lower_level_index, - time_explosion, stimulated_emission_factor, j_blues, - f_lu, wavelength_cm): - f_lu = f_lu.values[np.newaxis].T - wavelength = wavelength_cm.values[np.newaxis].T - n_lower = level_number_density.values.take(lines_lower_level_index, - axis=0, mode='raise').copy('F') - tau_sobolevs = (self.sobolev_coefficient * f_lu * wavelength * - time_explosion * n_lower * stimulated_emission_factor) - return pd.DataFrame(tau_sobolevs, index=lines.index, - columns=np.array(level_number_density.columns)) - -class BetaSobolev(ProcessingPlasmaProperty): - """ - Outputs: - beta_sobolev : Numpy Array - """ - outputs = ('beta_sobolev',) - latex_name = ('\\beta_{\\textrm{sobolev}}',) - - def calculate(self, tau_sobolevs): - if getattr(self, 'beta_sobolev', None) is None: - beta_sobolev = np.zeros_like(tau_sobolevs.values) - else: - beta_sobolev = self.beta_sobolev - macro_atom.calculate_beta_sobolev( - tau_sobolevs.values.ravel(order='F'), - beta_sobolev.ravel(order='F')) - return beta_sobolev - -class TransitionProbabilities(ProcessingPlasmaProperty): - """ - Outputs: - transition_probabilities : Pandas DataFrame - """ - outputs = ('transition_probabilities',) - - def calculate(self, atomic_data, beta_sobolev, j_blues, - stimulated_emission_factor, tau_sobolevs): - if len(j_blues) == 0: - transition_probabilities = None - else: - try: - macro_atom_data = atomic_data.macro_atom_data - except: - macro_atom_data = atomic_data.macro_atom_data_all - transition_probabilities = ( - macro_atom_data.transition_probability.values[np.newaxis].T * - beta_sobolev.take(macro_atom_data.lines_idx.values.astype(int), - axis=0, mode='raise')).copy('F') - transition_up_filter = \ - (macro_atom_data.transition_type == 1).values - macro_atom_transition_up_filter = \ - macro_atom_data.lines_idx.values[transition_up_filter] - j_blues = j_blues.take(macro_atom_transition_up_filter, - axis=0, mode='raise') - macro_stimulated_emission = stimulated_emission_factor.take( - macro_atom_transition_up_filter, axis=0, mode='raise') - transition_probabilities[transition_up_filter] *= j_blues * \ - macro_stimulated_emission - block_references = np.hstack(( - atomic_data.macro_atom_references.block_references, - len(macro_atom_data))) - macro_atom.normalize_transition_probabilities( - transition_probabilities, block_references) - transition_probabilities = pd.DataFrame(transition_probabilities, - index=macro_atom_data.transition_line_id, - columns=tau_sobolevs.columns) - return transition_probabilities - -class LTEJBlues(ProcessingPlasmaProperty): - outputs = ('lte_j_blues',) - latex_name = ('J^{b}_{lu(LTE)}') - - @staticmethod - def calculate(lines, nu, beta_rad): - beta_rad = pd.Series(beta_rad) - nu = pd.Series(nu) - h = const.h.cgs.value - c = const.c.cgs.value - df = pd.DataFrame(1, index=nu.index, columns=beta_rad.index) - df = df.mul(nu, axis='index') * beta_rad - exponential = (np.exp(h * df) - 1)**(-1) - remainder = (2 * (h * nu.values ** 3) / - (c ** 2)) - j_blues = exponential.mul(remainder, axis=0) - return pd.DataFrame(j_blues, index=lines.index, columns=beta_rad.index) diff --git a/tardis/plasma/setup_package.py b/tardis/plasma/setup_package.py deleted file mode 100644 index 54a2f0adae3..00000000000 --- a/tardis/plasma/setup_package.py +++ /dev/null @@ -1,4 +0,0 @@ -# Licensed under a 3-clause BSD style license - see LICENSE.rst - -def get_package_data(): - return {'tardis.plasma.tests':['data/*.dat', 'data/*.yml']} diff --git a/tardis/plasma/standard_plasmas.py b/tardis/plasma/standard_plasmas.py deleted file mode 100644 index 15f2b567ae3..00000000000 --- a/tardis/plasma/standard_plasmas.py +++ /dev/null @@ -1,105 +0,0 @@ -import logging -import pandas as pd -import numpy as np - -from tardis.plasma import BasePlasma -from tardis.plasma.properties.property_collections import (basic_inputs, - basic_properties, lte_excitation_properties, lte_ionization_properties, - macro_atom_properties, dilute_lte_excitation_properties, - nebular_ionization_properties, non_nlte_properties, - nlte_properties) - -logger = logging.getLogger(__name__) - -class LTEPlasma(BasePlasma): - - def __init__(self, t_rad, abundance, density, time_explosion, atomic_data, - j_blues, link_t_rad_t_electron=0.9, delta_treatment=None): - plasma_modules = basic_inputs + basic_properties + \ - lte_excitation_properties + lte_ionization_properties + \ - non_nlte_properties - - super(LTEPlasma, self).__init__(plasma_properties=plasma_modules, - t_rad=t_rad, abundance=abundance, atomic_data=atomic_data, - density=density, time_explosion=time_explosion, j_blues=j_blues, - w=None, link_t_rad_t_electron=link_t_rad_t_electron, - delta_input=delta_treatment, nlte_species=None, - previous_beta_sobolevs=None, previous_electron_densities=None) - -class LegacyPlasmaArray(BasePlasma): - - def from_number_densities(self, number_densities, atomic_data): - atomic_mass = atomic_data.atom_data.ix[number_densities.index].mass - elemental_density = number_densities.mul(atomic_mass, - axis='index') - density = elemental_density.sum() - abundance = pd.DataFrame(elemental_density/density, - index=number_densities.index, columns=number_densities.columns, - dtype=np.float64) - return abundance, density - - def initial_t_rad(self, number_densities): - return np.ones(len(number_densities.columns)) * 10000 - - def initial_w(self, number_densities): - return np.ones(len(number_densities.columns)) * 0.5 - - def update_radiationfield(self, t_rad, ws, j_blues, nlte_config, - t_electrons=None, n_e_convergence_threshold=0.05, - initialize_nlte=False): - if nlte_config.species: - self.store_previous_properties() - self.update(t_rad=t_rad, w=ws, j_blues=j_blues) - - def __init__(self, number_densities, atomic_data, time_explosion, - t_rad=None, delta_treatment=None, nlte_config=None, - ionization_mode='lte', excitation_mode='lte', - line_interaction_type='scatter', link_t_rad_t_electron=0.9): - - plasma_modules = basic_inputs + basic_properties - - if excitation_mode == 'lte': - plasma_modules += lte_excitation_properties - elif excitation_mode == 'dilute-lte': - plasma_modules += dilute_lte_excitation_properties - else: - raise NotImplementedError('Sorry {0} not implemented yet.'.format( - excitation_mode)) - - if ionization_mode == 'lte': - plasma_modules += lte_ionization_properties - elif ionization_mode == 'nebular': - plasma_modules += nebular_ionization_properties - else: - raise NotImplementedError('Sorry ' + ionization_mode + - ' not implemented yet.') - - if nlte_config.species: - plasma_modules += nlte_properties - else: - plasma_modules += non_nlte_properties - - if line_interaction_type in ('downbranch', 'macroatom'): - plasma_modules += macro_atom_properties - - if t_rad is None: - t_rad = self.initial_t_rad(number_densities) - - w = self.initial_w(number_densities) - - abundance, density = self.from_number_densities(number_densities, - atomic_data) - - initial_beta_sobolevs = np.ones((len(atomic_data.lines), - len(number_densities.columns))) - initial_electron_densities = number_densities.sum(axis=0) - - self.nlte_config = nlte_config - - super(LegacyPlasmaArray, self).__init__(plasma_properties=plasma_modules, - t_rad=t_rad, abundance=abundance, density=density, - atomic_data=atomic_data, time_explosion=time_explosion, - j_blues=None, w=w, link_t_rad_t_electron=link_t_rad_t_electron, - delta_input=delta_treatment, nlte_species=nlte_config.species, - previous_electron_densities=initial_electron_densities, - previous_beta_sobolevs=initial_beta_sobolevs) diff --git a/tardis/plasma/tests/__init__.py b/tardis/plasma/tests/__init__.py deleted file mode 100644 index 8b137891791..00000000000 --- a/tardis/plasma/tests/__init__.py +++ /dev/null @@ -1 +0,0 @@ - diff --git a/tardis/plasma/tests/conftest.py b/tardis/plasma/tests/conftest.py deleted file mode 100644 index 0df4284a63f..00000000000 --- a/tardis/plasma/tests/conftest.py +++ /dev/null @@ -1,274 +0,0 @@ -import os - -import numpy as np -import pandas as pd -from astropy import units as u -import pytest - -import tardis -from tardis.atomic import AtomData -from tardis.plasma.properties.ion_population import (PhiGeneral, - PhiSahaLTE, IonNumberDensity, PhiSahaNebular, RadiationFieldCorrection) -from tardis.plasma.properties.general import (BetaRadiation, GElectron, - NumberDensity, ElectronTemperature, BetaElectron, SelectedAtoms) -from tardis.plasma.properties.partition_function import ( - LevelBoltzmannFactorLTE, PartitionFunction, LevelBoltzmannFactorDiluteLTE) -from tardis.plasma.properties.atomic import (Levels, Lines, AtomicMass, - IonizationData, LinesUpperLevelIndex, LinesLowerLevelIndex, ZetaData) -from tardis.plasma.properties.level_population import LevelNumberDensity -from tardis.plasma.properties.radiative_properties import (TauSobolev, - StimulatedEmissionFactor, BetaSobolev, TransitionProbabilities) - -# INPUTS - -@pytest.fixture -def atomic_data(): - atomic_db_fname = os.path.join(tardis.__path__[0], 'tests', 'data', - 'chianti_he_db.h5') - return AtomData.from_hdf5(atomic_db_fname) - -@pytest.fixture -def number_of_cells(): - return 20 - -@pytest.fixture -def abundance(number_of_cells): - return pd.DataFrame(data=1.0, index=[2], - columns=range(number_of_cells), dtype=np.float64) - -@pytest.fixture -def density(number_of_cells): - return np.ones(number_of_cells) * 1e-14 - -@pytest.fixture -def w(number_of_cells): - return np.ones(number_of_cells) * 0.5 - -@pytest.fixture -def time_explosion(): - return (19 * u.day).to(u.s).value - -@pytest.fixture -def t_rad(number_of_cells): - return np.ones(number_of_cells) * 10000 - -@pytest.fixture -def j_blues(lines): - return pd.DataFrame(1.e-5, index=lines.index, columns=range(20)) - -@pytest.fixture -def link_t_rad_t_electron(): - return 0.9 - -@pytest.fixture -def nlte_species(): - return None - -# GENERAL PROPERTIES - -@pytest.fixture -def selected_atoms(abundance): - selected_atoms_module = SelectedAtoms(None) - return selected_atoms_module.calculate(abundance) - -@pytest.fixture -def beta_rad(t_rad): - beta_rad_module = BetaRadiation(None) - return beta_rad_module.calculate(t_rad) - -@pytest.fixture -def g_electron(beta_rad): - g_electron_module = GElectron(None) - return g_electron_module.calculate(beta_rad) - -@pytest.fixture -def number_density(atomic_mass, abundance, density): - number_density_module = NumberDensity(None) - return number_density_module.calculate(atomic_mass, abundance, density) - -@pytest.fixture -def t_electrons(t_rad, link_t_rad_t_electron): - electron_temperature_module = ElectronTemperature(None) - return electron_temperature_module.calculate(t_rad, link_t_rad_t_electron) - -@pytest.fixture -def beta_electron(t_electrons): - beta_electron_module = BetaElectron(None) - return beta_electron_module.calculate(t_electrons) - -# ATOMIC PROPERTIES - -@pytest.fixture -def levels(atomic_data, selected_atoms): - levels_module = Levels(None) - return levels_module.calculate(atomic_data, selected_atoms)[0] - -@pytest.fixture -def excitation_energy(atomic_data, selected_atoms): - levels_module = Levels(None) - return levels_module.calculate(atomic_data, selected_atoms)[1] - -@pytest.fixture -def metastability(atomic_data, selected_atoms): - levels_module = Levels(None) - return levels_module.calculate(atomic_data, selected_atoms)[2] - -@pytest.fixture -def g(atomic_data, selected_atoms): - levels_module = Levels(None) - return levels_module.calculate(atomic_data, selected_atoms)[3] - -@pytest.fixture -def lines(atomic_data, selected_atoms): - lines_module = Lines(None) - return lines_module.calculate(atomic_data, selected_atoms)[0] - -@pytest.fixture -def nu(atomic_data, selected_atoms): - lines_module = Lines(None) - return lines_module.calculate(atomic_data, selected_atoms)[1] - -@pytest.fixture -def f_lu(atomic_data, selected_atoms): - lines_module = Lines(None) - return lines_module.calculate(atomic_data, selected_atoms)[2] - -@pytest.fixture -def wavelength_cm(atomic_data, selected_atoms): - lines_module = Lines(None) - return lines_module.calculate(atomic_data, selected_atoms)[3] - -@pytest.fixture -def ionization_data(atomic_data, selected_atoms): - ionization_data_module = IonizationData(None) - return ionization_data_module.calculate(atomic_data, - selected_atoms) - -@pytest.fixture -def atomic_mass(atomic_data, selected_atoms): - atomic_mass_module = AtomicMass(None) - return atomic_mass_module.calculate(atomic_data, - selected_atoms) - -@pytest.fixture -def zeta_data(atomic_data, selected_atoms): - zeta_data_module = ZetaData(None) - return zeta_data_module.calculate(atomic_data, selected_atoms) - -@pytest.fixture -def lines_upper_level_index(lines, levels): - upper_level_index_module = LinesUpperLevelIndex(None) - return upper_level_index_module.calculate(levels, lines) - -@pytest.fixture -def lines_lower_level_index(lines, levels): - lower_level_index_module = LinesLowerLevelIndex(None) - return lower_level_index_module.calculate(levels, lines) - -# PARTITION FUNCTION PROPERTIES - -@pytest.fixture -def level_boltzmann_factor_lte(excitation_energy, g, beta_rad, levels): - level_boltzmann_factor_module = LevelBoltzmannFactorLTE(None) - return level_boltzmann_factor_module.calculate(excitation_energy, g, - beta_rad, levels) - -@pytest.fixture -def level_boltzmann_factor_dilute_lte(levels, g, excitation_energy, beta_rad, - w, metastability): - level_boltzmann_factor_module = LevelBoltzmannFactorDiluteLTE(None) - return level_boltzmann_factor_module.calculate(levels, g, - excitation_energy, beta_rad, w, metastability) - -@pytest.fixture -def partition_function(level_boltzmann_factor_lte): - partition_function_module = PartitionFunction(None) - return partition_function_module.calculate(level_boltzmann_factor_lte) - -# ION POPULATION PROPERTIES - -@pytest.fixture -def general_phi(g_electron, beta_rad, partition_function, ionization_data): - phi_general_module = PhiGeneral(None) - return phi_general_module.calculate(g_electron, beta_rad, - partition_function, ionization_data) - -@pytest.fixture -def phi_saha_lte(general_phi): - phi_module = PhiSahaLTE(None) - return phi_module.calculate(general_phi) - -@pytest.fixture -def phi_saha_nebular(w, ionization_data, beta_rad, t_electrons, t_rad, - beta_electron, delta, general_phi, zeta_data): - phi_saha_nebular_module = PhiSahaNebular(None) - return phi_saha_nebular_module.calculate(general_phi, t_rad, w, zeta_data, - t_electrons, delta) - -@pytest.fixture -def ion_number_density(phi_saha_lte, partition_function, number_density): - ion_number_density_module = IonNumberDensity(None) - ion_number_density, electron_densities = \ - ion_number_density_module.calculate(phi_saha_lte, partition_function, - number_density) - return ion_number_density - -@pytest.fixture -def electron_densities(phi_saha_lte, partition_function, number_density): - electron_density_module = IonNumberDensity(None) - ion_number_density, electron_densities = \ - electron_density_module.calculate(phi_saha_lte, partition_function, - number_density) - return electron_densities - -@pytest.fixture -def delta(w, ionization_data, beta_rad, t_electrons, t_rad, beta_electron, - levels): - delta_input = None - delta_module = RadiationFieldCorrection(None) - delta_module.chi_0_species = (2, 2) - return delta_module.calculate(w, ionization_data, beta_rad, t_electrons, - t_rad, beta_electron, delta_input) - -# LEVEL POPULATION PROPERTIES - -@pytest.fixture -def level_number_density(level_boltzmann_factor_lte, ion_number_density, - levels, partition_function): - level_number_density_module = LevelNumberDensity(None) - return level_number_density_module.calculate(level_boltzmann_factor_lte, - ion_number_density, levels, partition_function) - -# RADIATIVE PROPERTIES - -@pytest.fixture -def stimulated_emission_factor(g, level_number_density, - lines_lower_level_index, lines_upper_level_index, metastability, - nlte_species, lines): - factor_module = StimulatedEmissionFactor(None) - return factor_module.calculate(g, level_number_density, - lines_lower_level_index, lines_upper_level_index, metastability, - nlte_species, lines) - -@pytest.fixture -def tau_sobolev(lines, level_number_density, lines_lower_level_index, - time_explosion, stimulated_emission_factor, j_blues, - f_lu, wavelength_cm): - tau_sobolev_module = TauSobolev(None) - return tau_sobolev_module.calculate(lines, level_number_density, - lines_lower_level_index, time_explosion, stimulated_emission_factor, - j_blues, f_lu, wavelength_cm) - -@pytest.fixture -def beta_sobolev(tau_sobolev): - beta_sobolev_module = BetaSobolev(None) - return beta_sobolev_module.calculate(tau_sobolev) - -@pytest.fixture -def transition_probabilities(atomic_data, beta_sobolev, j_blues, - stimulated_emission_factor, tau_sobolev): - transition_probabilities_module = TransitionProbabilities(None) - return transition_probabilities_module.calculate(atomic_data, beta_sobolev, - j_blues, - stimulated_emission_factor, - tau_sobolev) \ No newline at end of file diff --git a/tardis/plasma/tests/data/plasma_comparison_lte_trads.dat b/tardis/plasma/tests/data/plasma_comparison_lte_trads.dat deleted file mode 100644 index e85e80522da..00000000000 --- a/tardis/plasma/tests/data/plasma_comparison_lte_trads.dat +++ /dev/null @@ -1,20 +0,0 @@ -11048.8056621 -11200.3425113 -11266.8608004 -11319.9129907 -11320.3476115 -11308.2696731 -11297.5169483 -11242.6340481 -11179.7040254 -11125.3692462 -11079.7498003 -11008.0675998 -10923.7427844 -10865.8405821 -10797.3442197 -10717.6062995 -10629.2965606 -10535.0392802 -10430.1198141 -10335.112268 diff --git a/tardis/plasma/tests/data/plasma_comparison_nlte_trads.dat b/tardis/plasma/tests/data/plasma_comparison_nlte_trads.dat deleted file mode 100644 index fc168275e71..00000000000 --- a/tardis/plasma/tests/data/plasma_comparison_nlte_trads.dat +++ /dev/null @@ -1,20 +0,0 @@ -10996.1969284 -10987.0776651 -10981.545755 -10953.8484909 -10944.4645702 -10930.19064 -10906.4453625 -10890.2742411 -10866.0112347 -10845.6127571 -10830.3608477 -10804.2380865 -10768.8939815 -10732.0185563 -10682.6617516 -10649.6407706 -10609.373542 -10545.8978511 -10474.5045863 -10383.8287667 diff --git a/tardis/plasma/tests/data/plasma_test_config_lte.yml b/tardis/plasma/tests/data/plasma_test_config_lte.yml deleted file mode 100644 index 1e0d9e8b2af..00000000000 --- a/tardis/plasma/tests/data/plasma_test_config_lte.yml +++ /dev/null @@ -1,47 +0,0 @@ -tardis_config_version: v1.0 - -supernova: - luminosity_requested: 2.8e9 solLum - time_explosion: 13 day - -atom_data: kurucz_atom_pure_simple.h5 - -model: - - structure: - type: specific - - velocity: - start: 1.1e4 km/s - stop: 2.0e4 km/s - num: 20 - - density: - type: branch85_w7 - - abundances: - type: uniform - O: 0.19 - Mg: 0.03 - Si: 0.52 - S: 0.19 - Ar: 0.04 - Ca: 0.03 - -plasma: - ionization: lte - excitation: lte - radiative_rates_type: dilute-blackbody - line_interaction_type: macroatom - -montecarlo: - seed: 23111963 - no_of_packets : 1.0e+5 - iterations: 10 - last_no_of_packets: 1.0e+5 - no_of_virtual_packets: 5 - -spectrum: - start: 500 angstrom - stop: 20000 angstrom - num: 10000 diff --git a/tardis/plasma/tests/data/plasma_test_config_nlte.yml b/tardis/plasma/tests/data/plasma_test_config_nlte.yml deleted file mode 100644 index 35a844cd9cf..00000000000 --- a/tardis/plasma/tests/data/plasma_test_config_nlte.yml +++ /dev/null @@ -1,49 +0,0 @@ -tardis_config_version: v1.0 - -supernova: - luminosity_requested: 2.8e9 solLum - time_explosion: 13 day - -atom_data: kurucz_atom_pure_simple.h5 - -model: - - structure: - type: specific - - velocity: - start: 1.1e4 km/s - stop: 2.0e4 km/s - num: 20 - - density: - type: branch85_w7 - - abundances: - type: uniform - He: 0.19 - Mg: 0.03 - Si: 0.52 - S: 0.19 - Ar: 0.04 - Ca: 0.03 - -plasma: - ionization: nebular - excitation: dilute-lte - radiative_rates_type: dilute-blackbody - line_interaction_type: macroatom - nlte: - species: [He I] - -montecarlo: - seed: 23111963 - no_of_packets : 1.0e+5 - iterations: 10 - last_no_of_packets: 1.0e+5 - no_of_virtual_packets: 5 - -spectrum: - start: 500 angstrom - stop: 20000 angstrom - num: 10000 diff --git a/tardis/plasma/tests/test_complete_plasmas.py b/tardis/plasma/tests/test_complete_plasmas.py deleted file mode 100644 index a0282d6168f..00000000000 --- a/tardis/plasma/tests/test_complete_plasmas.py +++ /dev/null @@ -1,9 +0,0 @@ -import pytest -from tardis.plasma.standard_plasmas import LTEPlasma - -@pytest.fixture -def standard_lte_plasma_he_db(t_rad, abundance, density, time_explosion, - atomic_data, j_blues, - link_t_rad_t_electron): - return LTEPlasma(t_rad, abundance, density, time_explosion, - atomic_data, j_blues, link_t_rad_t_electron) diff --git a/tardis/plasma/tests/test_general_properties.py b/tardis/plasma/tests/test_general_properties.py deleted file mode 100644 index 1d5832f0462..00000000000 --- a/tardis/plasma/tests/test_general_properties.py +++ /dev/null @@ -1,20 +0,0 @@ -import numpy as np -from astropy import constants as const - -def test_beta_rad(t_rad, beta_rad): - assert np.allclose(beta_rad, 1 / (const.k_B.cgs.value * t_rad)) - -def test_g_electron(g_electron): - assert np.allclose(g_electron, 2.4146828342691716e+21) - -def test_number_density(number_density): - assert np.isclose(number_density[0].loc[2], 1504556808.6958313) - -def test_selected_atoms(selected_atoms): - assert selected_atoms==[2] - -def test_electron_temperature(t_rad, link_t_rad_t_electron, t_electrons): - assert np.allclose(t_electrons, t_rad*link_t_rad_t_electron) - -def test_beta_electron(beta_electron, t_electrons): - assert np.allclose(beta_electron, 1 / (const.k_B.cgs.value * t_electrons)) \ No newline at end of file diff --git a/tardis/plasma/tests/test_partition_function.py b/tardis/plasma/tests/test_partition_function.py deleted file mode 100644 index 46fc8cd5966..00000000000 --- a/tardis/plasma/tests/test_partition_function.py +++ /dev/null @@ -1,19 +0,0 @@ -import numpy as np - -def test_level_boltzmann_factor_lte(level_boltzmann_factor_lte, levels): - assert np.allclose(level_boltzmann_factor_lte.ix[2].ix[0].ix[0], 1) - assert np.allclose(level_boltzmann_factor_lte.ix[2].ix[1].ix[0], 2) - assert np.allclose(level_boltzmann_factor_lte.ix[2].ix[0].ix[10], - 7.6218092841240705e-12) - -def test_level_boltzmann_factor_dilute_lte(level_boltzmann_factor_dilute_lte, - levels): - assert np.allclose(level_boltzmann_factor_dilute_lte.ix[2].ix[0].ix[0], 1) - assert np.allclose(level_boltzmann_factor_dilute_lte.ix[2].ix[1].ix[0], 2) - assert np.allclose(level_boltzmann_factor_dilute_lte.ix[2].ix[0].ix[10], - 3.8109046420620353e-12) - -def test_lte_partition_function(partition_function, levels): - assert np.allclose(partition_function.ix[2].ix[0], 1.0) - assert np.allclose(partition_function.ix[2].ix[1], 2.0) - assert np.allclose(partition_function.ix[2].ix[2], 1.0) diff --git a/tardis/plasma/tests/test_plasmas_full.py b/tardis/plasma/tests/test_plasmas_full.py deleted file mode 100644 index 91bb9e1aae9..00000000000 --- a/tardis/plasma/tests/test_plasmas_full.py +++ /dev/null @@ -1,49 +0,0 @@ -import pytest -import numpy as np -import yaml -import tardis -import numpy.testing as nptesting -from astropy import units as u -import os - -from tardis.base import run_tardis - -def data_path(fname): - return os.path.join(tardis.__path__[0], 'plasma', 'tests', 'data', fname) - -@pytest.mark.skipif(not pytest.config.getvalue("atomic-dataset"), - reason='--atomic_database was not specified') -class TestPlasmas(): - @classmethod - @pytest.fixture(scope="class", autouse=True) - def setup(self): - self.atom_data_filename = os.path.expanduser(os.path.expandvars( - pytest.config.getvalue('atomic-dataset'))) - assert os.path.exists(self.atom_data_filename), ("{0} atomic datafiles" - " does not seem to " - "exist".format( - self.atom_data_filename)) - self.config_yaml = yaml.load(open( - 'tardis/plasma/tests/data/plasma_test_config_lte.yml')) - self.config_yaml['atom_data'] = self.atom_data_filename - self.lte_model = run_tardis(self.config_yaml) - self.config_yaml = yaml.load(open( - 'tardis/plasma/tests/data/plasma_test_config_nlte.yml')) - self.config_yaml['atom_data'] = self.atom_data_filename - self.nlte_model = run_tardis(self.config_yaml) - - def test_lte_plasma(self): - old_plasma_t_rads = \ - np.loadtxt(data_path('plasma_comparison_lte_trads.dat'), - unpack=True) - new_plasma_t_rads = self.lte_model.t_rads / u.Unit('K') - np.testing.assert_allclose( - new_plasma_t_rads, old_plasma_t_rads, atol=100) - - def test_nlte_plasma(self): - old_plasma_t_rads = \ - np.loadtxt(data_path('plasma_comparison_nlte_trads.dat'), - unpack=True) - new_plasma_t_rads = self.nlte_model.t_rads / u.Unit('K') - np.testing.assert_allclose( - new_plasma_t_rads, old_plasma_t_rads, atol=150) \ No newline at end of file diff --git a/tardis/plasma/tests/test_property_atomic.py b/tardis/plasma/tests/test_property_atomic.py deleted file mode 100644 index 6beae32217d..00000000000 --- a/tardis/plasma/tests/test_property_atomic.py +++ /dev/null @@ -1,24 +0,0 @@ -import numpy as np - -def test_levels_property(excitation_energy): - assert np.isclose(excitation_energy.ix[2].ix[0].ix[1], 3.17545416e-11) - -def test_lines_property(lines): - assert np.isclose(lines.ix[564954]['wavelength'], 10833.307) - assert lines.index[124] == 564954 - -def test_lines_lower_level_index_property(lines_lower_level_index): - assert lines_lower_level_index[9] == 0 - -def test_lines_upper_level_index_property(lines_upper_level_index): - assert lines_upper_level_index[9] == 30 - -def test_atomic_mass_property(atomic_mass): - assert np.isclose(atomic_mass.ix[2], 6.6464755216973998e-24) - -def test_ionization_data_property(ionization_data): - assert np.isclose(float(ionization_data.ix[2].ix[1]), 3.9393336e-11) - -def test_zeta_data_property(zeta_data): - assert zeta_data.shape == (3, 20) - assert np.isclose(zeta_data.ix[2].ix[1][2000], 0.4012) \ No newline at end of file diff --git a/tardis/plasma/tests/test_property_ion_population.py b/tardis/plasma/tests/test_property_ion_population.py deleted file mode 100644 index 675ca4d3f67..00000000000 --- a/tardis/plasma/tests/test_property_ion_population.py +++ /dev/null @@ -1,26 +0,0 @@ -import numpy as np - -def test_phi_saha_lte(beta_rad, g_electron, ionization_data, - phi_saha_lte): - assert(phi_saha_lte.shape == (2,20)) - assert np.all(np.isclose(g_electron * 4 * np.exp( - -ionization_data.ionization_energy.ix[2].ix[1] * beta_rad), - phi_saha_lte.ix[2].ix[1])) - -def test_ion_number_density(phi_saha_lte, ion_number_density, - electron_densities): - ion_numbers = ion_number_density.index.get_level_values(1).values - ion_numbers = ion_numbers.reshape((ion_numbers.shape[0], 1)) - n_electron_from_ions = (ion_number_density.values * ion_numbers).sum( - axis=0) - assert np.all(np.abs((n_electron_from_ions - electron_densities)/ - electron_densities) < 0.05) == True - -def test_electron_densities(electron_densities): - assert np.allclose(electron_densities, 1.181197e+09) - -def test_radiation_field_correction(delta): - assert np.allclose(delta.ix[2].ix[2], 0.000807200897) - -def test_phi_saha_nebular(phi_saha_nebular): - assert np.allclose(phi_saha_nebular.ix[2].ix[1], 1449588387.9727359) diff --git a/tardis/plasma/tests/test_property_level_population.py b/tardis/plasma/tests/test_property_level_population.py deleted file mode 100644 index 4b368ba5819..00000000000 --- a/tardis/plasma/tests/test_property_level_population.py +++ /dev/null @@ -1,7 +0,0 @@ -import numpy as np - -def test_level_number_density_lte(level_number_density, ion_number_density): - assert np.allclose(level_number_density.ix[2].ix[0].ix[0], - ion_number_density.ix[2].ix[0]) - assert np.allclose(level_number_density.sum(), - ion_number_density.sum()) diff --git a/tardis/plasma/tests/test_property_radiative.py b/tardis/plasma/tests/test_property_radiative.py deleted file mode 100644 index 05229815e4d..00000000000 --- a/tardis/plasma/tests/test_property_radiative.py +++ /dev/null @@ -1,13 +0,0 @@ -import numpy as np - -def test_stimulated_emission_factor(stimulated_emission_factor): - assert stimulated_emission_factor.shape == (253,20) - assert np.allclose(stimulated_emission_factor[250], 0.0010629785664215685) - -def test_tau_sobolev(tau_sobolev): - assert tau_sobolev.shape == (253,20) - assert np.allclose(tau_sobolev.ix[565129], 3.0598663523617094e-05) - -def test_beta_sobolev(beta_sobolev): - assert beta_sobolev.shape == (253,20) - assert np.allclose(beta_sobolev[10][10], 1.671404577575537e-07) \ No newline at end of file diff --git a/tardis/plasma_array.py b/tardis/plasma_array.py new file mode 100644 index 00000000000..ecddb932d9b --- /dev/null +++ b/tardis/plasma_array.py @@ -0,0 +1,750 @@ +#Calculations of the Plasma conditions + +import logging +import os + +import numpy as np +from astropy import constants +import pandas as pd +from scipy import interpolate + +from tardis import macro_atom, io +from tardis.io.util import parse_abundance_dict_to_dataframe + + +logger = logging.getLogger(__name__) + +k_B_cgs = constants.k_B.cgs.value +c_cgs = constants.c.cgs.value +h_cgs = constants.h.cgs.value +m_e_cgs = constants.m_e.cgs.value +e_charge_gauss = constants.e.gauss.value + +#Defining sobolev constant +sobolev_coefficient = ((np.pi * e_charge_gauss ** 2) / ( m_e_cgs * c_cgs)) + + +class PlasmaException(Exception): + pass + +class PopulationInversionException(PlasmaException): + pass + +def intensity_black_body(nu, T): + """ + Calculate the intensity of a black-body according to the following formula + + .. math:: + I(\\nu, T) = \\frac{2h\\nu^3}{c^2}\frac{1}{e^{h\\nu \\beta_\\textrm{rad}} - 1} + + """ + beta_rad = 1 / (k_B_cgs * T) + + return (2 * (h_cgs * nu ** 3) / (c_cgs ** 2)) / ( + np.exp(h_cgs * nu * beta_rad) - 1) + + +class BasePlasmaArray(object): + """ + Model for BasePlasma + + Parameters + ---------- + + t_rad : `~float` + radiation temperature in K + + w : `~float` + dilution factor W + + number_density : `~pandas.Series` + Series where the index describes the atomic number and the value is the number density + + atom_data : :class:`~tardis.atomic.AtomData` object + with the necessary information + time_explosion : `~float` + time since explosion in seconds + + j_blues=None : :class:`~numpy.ndarray`, optional + mean intensity at the blue side of the line (the default is `None` and implies that they are calculated + according to the selected Plasma) + + t_electron : `~float`, optional + electron temperature in K (the default is `None` and implies to set it to 0.9 * t_rad) + + nlte_species : `~list`-like, optional + what species to use for NLTE calculations (e.g. [(20,1), (14, 1)] for Ca II and Si II; default is []) + + nlte_options={} : `dict`-like, optional + NLTE options mainly for debugging purposes - please refer to the configuration documentation for additional + information + + zone_id=None : `int`, optional + What zone_id this plasma represents. Mainly for logging purposes. + + saha_treatment : `str`, optional + Describes what Saha treatment to use for ionization calculations. The options are `lte` or `nebular` + + Returns + ------- + + `tardis.plasma.BasePlasma` + """ + + @classmethod + def from_abundance(cls, abundance_dict, density, atom_data, time_explosion, + nlte_config=None, ionization_mode='lte', + excitation_mode='lte'): + """ + Initializing the abundances from the a dictionary like {'Si':0.5, 'Fe':0.5} and a density. + All other parameters are the same as the normal initializer + + + Parameters + ---------- + + abundance_dict : `~dict` + A dictionary with the abundances for each element, e.g. {'Fe':0.5, 'Ni':0.5} + + + + density : `~float` + density in g/cm^3 + + + Returns + ------- + + `Baseplasma` object + """ + + abundance_series = parse_abundance_dict_to_dataframe(abundance_dict) + + abundances = pd.DataFrame({0:abundance_series}) + + number_densities = abundances * density.to('g/cm^3').value + + number_densities = number_densities.div(atom_data.atom_data.mass.ix[number_densities.index], axis=0) + if nlte_config is not None: + nlte_species = nlte_config.species + else: + nlte_species = [] + atom_data.prepare_atom_data(number_densities.index.values, nlte_species=nlte_species) + + return cls(number_densities, atom_data, time_explosion.to('s').value, + nlte_config=nlte_config, ionization_mode=ionization_mode, + excitation_mode=excitation_mode) + + @classmethod + def from_hdf5(cls, hdf5store): + raise NotImplementedError() + + + def __init__(self, number_densities, atom_data, time_explosion, delta_treatment=None, nlte_config=None, + ionization_mode='lte', excitation_mode='lte'): + self.number_densities = number_densities + self.atom_data = atom_data + self.time_explosion = time_explosion + self.nlte_config = nlte_config + self.delta_treatment = delta_treatment + self.electron_densities = self.number_densities.sum(axis=0) + + self.level_populations = pd.DataFrame(index=self.atom_data.levels.index, columns=number_densities.columns, + dtype=np.float64) + + self.beta_sobolevs_precalculated = False + + self.excitation_mode = excitation_mode + + if ionization_mode == 'lte': + self.calculate_saha = self.calculate_saha_lte + elif ionization_mode == 'nebular': + self.calculate_saha = self.calculate_saha_nebular + else: + raise ValueError('keyword "ionization_mode" can only be "lte" or "nebular" - %s chosen' % ionization_mode) + + + #Properties + + @property + def t_rads(self): + return self._t_rads + + @t_rads.setter + def t_rads(self, value): + self._t_rads = value + self.beta_rads = (1 / (k_B_cgs * self._t_rads)) + self.g_electrons = ((2 * np.pi * m_e_cgs / self.beta_rads) / (h_cgs ** 2)) ** 1.5 + + @property + def t_electrons(self): + if self._t_electrons is None: + return self.t_rads * self.link_t_rad_to_t_electron + else: + return self._t_electrons + + @t_electrons.setter + def t_electrons(self, value): + if value is None: + self.link_t_rad_to_t_electron = 0.9 + self._t_electrons = None + else: + self._t_electrons = value + + self.beta_electrons = 1 / (k_B_cgs * self.t_electrons) + + + #Functions + + def update_radiationfield(self, t_rads, ws, j_blues=None, t_electrons=None, n_e_convergence_threshold=0.05, + initialize_nlte=False): + """ + This functions updates the radiation temperature `t_rad` and calculates the beta_rad + Parameters. Then calculating :math:`g_e=\\left(\\frac{2 \\pi m_e k_\\textrm{B}T}{h^2}\\right)^{3/2}`. + Next will calculate the partition functions, followed by the phis + (using `calculate_saha`). + + Parameters + ---------- + t_rad : float + + n_e_convergence_threshold : float + The electron density convergence threshold. The number to stop when iterating over calculating the + ionization balance. + + """ + + self.t_rads = np.array(t_rads) + if t_electrons is None: + self.t_electrons = None + self.ws = np.array(ws) + #warn if dilution factor is greater than 1 + if np.any(self.ws > 1): + logger.warn('Dilution factor greater than 1.') + self.j_blues = j_blues + self.beta_sobolevs_precalculated = False + self.level_population_proportionalities, self.partition_functions = self.calculate_partition_functions( + initialize_nlte=initialize_nlte) + + + + + #Calculate the Saha ionization balance fractions + phis = self.calculate_saha() + #initialize electron density with the sum of number densities + n_e_iterations = 0 + + while True: + self.calculate_ion_populations(phis) + ion_numbers = self.ion_populations.index.get_level_values(1).values + ion_numbers = ion_numbers.reshape((ion_numbers.shape[0], 1)) + new_electron_densities = (self.ion_populations.values * ion_numbers).sum(axis=0) + + if np.any(np.isnan(new_electron_densities)): + raise PlasmaException('electron density just turned "nan" - aborting') + + n_e_iterations += 1 + if n_e_iterations > 100: + logger.warn('electron density iterations above 100 (%d) - something is probably wrong', n_e_iterations) + + if np.all(np.abs(new_electron_densities - self.electron_densities) / self.electron_densities < + n_e_convergence_threshold): break + + self.electron_densities = 0.5 * (new_electron_densities + self.electron_densities) + + self.calculate_level_populations(initialize_nlte=initialize_nlte, excitation_mode=self.excitation_mode) + self.tau_sobolevs = self.calculate_tau_sobolev() + + if self.nlte_config is not None and self.nlte_config.species: + self.calculate_nlte_level_populations() + + + + def calculate_partition_functions(self, initialize_nlte=False): + """ + Calculate partition functions for the ions using the following formula, where + :math:`i` is the atomic_number, :math:`j` is the ion_number and :math:`k` is the level number. + + .. math:: + Z_{i,j} = \\sum_{k=0}^{max(k)_{i,j}} g_k \\times e^{-E_k / (k_\\textrm{b} T)} + + + + if self.initialize is True set the first time the partition functions are initialized. + This will set a self.partition_functions and initialize with LTE conditions. + + + Returns + ------- + + partition_functions : `~astropy.table.Table` + with fields atomic_number, ion_number, partition_function + + """ + + levels = self.atom_data.levels + + level_population_proportional_array = levels.g.values[np.newaxis].T *\ + np.exp(np.outer(levels.energy.values, -self.beta_rads)) + level_population_proportionalities = pd.DataFrame(level_population_proportional_array, + index=self.atom_data.levels.index, + columns=np.arange(len(self.t_rads)), dtype=np.float64) + + + #level_props = self.level_population_proportionalities + + partition_functions = level_population_proportionalities[self.atom_data.levels.metastable].groupby( + level=['atomic_number', 'ion_number']).sum() + partition_functions_non_meta = self.ws * level_population_proportionalities[~self.atom_data.levels.metastable].groupby( + level=['atomic_number', 'ion_number']).sum() + partition_functions.ix[partition_functions_non_meta.index] += partition_functions_non_meta + if self.nlte_config is not None and self.nlte_config.species != [] and not initialize_nlte: + for species in self.nlte_config.species: + partition_functions.ix[species] = self.atom_data.levels.g.ix[species].ix[0] * \ + (self.level_populations.ix[species] / + self.level_populations.ix[species].ix[0]).sum() + + return level_population_proportionalities, partition_functions + + def calculate_saha_lte(self): + """ + Calculating the ionization equilibrium using the Saha equation, where i is atomic number, + j is the ion_number, :math:`n_e` is the electron density, :math:`Z_{i, j}` are the partition functions + and :math:`\chi` is the ionization energy. + + .. math:: + + + \\Phi_{i,j} = \\frac{N_{i, j+1} n_e}{N_{i, j}} + + \\Phi_{i, j} = g_e \\times \\frac{Z_{i, j+1}}{Z_{i, j}} e^{-\chi_{j\\rightarrow j+1}/k_\\textrm{B}T} + + """ + + logger.debug('Calculating Saha using LTE approximation') + + def calculate_phis(group): + return group[1:] / group[:-1].values + + phis = self.partition_functions.groupby(level='atomic_number').apply(calculate_phis) + + phis = pd.DataFrame(phis.values, index=phis.index.droplevel(0)) + + phi_coefficient = 2 * self.g_electrons * \ + np.exp(np.outer(self.atom_data.ionization_data.ionization_energy.ix[phis.index].values, + -self.beta_rads)) + + return phis * phi_coefficient + + def calculate_saha_nebular(self, delta=None): + """ + Calculating the ionization equilibrium using the Saha equation, where i is atomic number, + j is the ion_number, :math:`n_e` is the electron density, :math:`Z_{i, j}` are the partition functions + and :math:`\chi` is the ionization energy. For the `NebularPlasma` we first calculate the + ionization balance assuming LTE conditions (:math:`\\Phi_{i, j}(\\textrm{LTE})`) and use factors to more accurately + describe the plasma. The two important factors are :math:`\\zeta` - a correction factor to take into account + ionizations from excited states. The second factor is :math:`\\delta` , adjusting the ionization balance for the fact that + there's more line blanketing in the blue. + + The :math:`\\zeta` factor for different temperatures is read in to the `~tardis.atomic.NebularAtomData` and then + interpolated for the current temperature. + + The :math:`\\delta` factor is calculated with :meth:`calculate_radiation_field_correction`. + + Finally the ionization balance is adjusted (as equation 14 in :cite:`1993A&A...279..447M`): + + .. math:: + + + \\Phi_{i,j} =& \\frac{N_{i, j+1} n_e}{N_{i, j}} \\\\ + + \\Phi_{i, j} =& W \\times[\\delta \\zeta + W ( 1 - \\zeta)] \\left(\\frac{T_\\textrm{e}}{T_\\textrm{R}}\\right)^{1/2} + \\Phi_{i, j}(\\textrm{LTE}) + + """ + + logger.debug('Calculating Saha using Nebular approximation') + phis = self.calculate_saha_lte() + if self.delta_treatment is None: + delta = self.calculate_radfield_correction().ix[phis.index] + else: + delta = self.delta_treatment + + zeta_data = self.atom_data.zeta_data + try: + zeta = interpolate.interp1d(zeta_data.columns.values, zeta_data.ix[phis.index].values)(self.t_rads) + except ValueError: + raise ValueError('t_rads outside of zeta factor interpolation' + ' zeta_min={0:.2f} zeta_max={1:.2f} ' + '- requested {2}'.format( + zeta_data.columns.values.min(), zeta_data.columns.values.max(), + self.t_rads)) + else: + # fixing missing nan data + # issue created - fix with warning some other day + zeta[np.isnan(zeta)] = 1.0 + + phis *= self.ws * (delta * zeta + self.ws * (1 - zeta)) * \ + (self.t_electrons / self.t_rads) ** .5 + + return phis + + def calculate_radfield_correction(self, departure_coefficient=None, chi_0_species=(20, 2)): + """ + Calculating radiation field correction factors according to Mazzali & Lucy 1993 (:cite:`1993A&A...279..447M`; henceforth ML93) + + + In ML93 the radiation field correction factor is denoted as :math:`\\delta` and is calculated in Formula 15 & 20 + + The radiation correction factor changes according to a ionization energy threshold :math:`\\chi_\\textrm{T}` + and the species ionization threshold (from the ground state) :math:`\\chi_0`. + + For :math:`\\chi_\\textrm{T} \\ge \\chi_0` + + .. math:: + \\delta = \\frac{T_\\textrm{e}}{b_1 W T_\\textrm{R}} \\exp(\\frac{\\chi_\\textrm{T}}{k T_\\textrm{R}} - + \\frac{\\chi_0}{k T_\\textrm{e}}) + + For :math:`\\chi_\\textrm{T} < \\chi_0` + + .. math::self.beta_rads * chi_0 + \\delta = 1 - \\exp(\\frac{\\chi_\\textrm{T}}{k T_\\textrm{R}} - \\frac{\\chi_0}{k T_\\textrm{R}}) + \\frac{T_\\textrm{e}}{b_1 W T_\\textrm{R}} \\exp(\\frac{\\chi_\\textrm{T}}{k T_\\textrm{R}} - + \\frac{\\chi_0}{k T_\\textrm{e}}), + + where :math:`T_\\textrm{R}` is the radiation field Temperature, :math:`T_\\textrm{e}` is the electron temperature and W is the + dilution factor. + + Parameters + ---------- + phi_table : `~astropy.table.Table` + a table containing the field 'atomic_number', 'ion_number', 'phi' + + departure_coefficient : `~float` or `~None`, optional + departure coefficient (:math:`b_1` in ML93) For the default (`None`) it is set to 1/W. + + chi_0_species : `~tuple`, optional + This describes which ionization energy to use for the threshold. Default is Calcium II + (1044 Angstrom; useful for Type Ia) + For Type II supernovae use Lyman break (912 Angstrom) or (1,1) as the tuple + + Returns + ------- + + This function adds a field 'delta' to the phi table given to the function + + """ + #factor delta ML 1993 + if departure_coefficient is None: + departure_coefficient = 1. / self.ws + + ionization_data = self.atom_data.ionization_data + + chi_0 = ionization_data.ionization_energy.ix[chi_0_species] + radiation_field_correction = -np.ones((len(ionization_data), len(self.beta_rads))) + less_than_chi_0 = (ionization_data.ionization_energy < chi_0).values + + factor_a = (self.t_electrons / (departure_coefficient * self.ws * self.t_rads)) + + radiation_field_correction[~less_than_chi_0] = factor_a * \ + np.exp(np.outer(ionization_data.ionization_energy.values[~less_than_chi_0], + self.beta_rads - self.beta_electrons)) + + + + + radiation_field_correction[less_than_chi_0] = 1 - np.exp(np.outer(ionization_data.ionization_energy.values + [less_than_chi_0], self.beta_rads) + - self.beta_rads * chi_0) + radiation_field_correction[less_than_chi_0] += factor_a * np.exp( + np.outer(ionization_data.ionization_energy.values[less_than_chi_0], self.beta_rads) - + chi_0*self.beta_electrons) + + return pd.DataFrame(radiation_field_correction, columns=np.arange(len(self.t_rads)), + index=ionization_data.index) + + + + def calculate_ion_populations(self, phis, ion_zero_threshold=1e-20): + """ + Calculate the ionization balance + + .. math:: + N(X) = N_1 + N_2 + N_3 + \\dots + + N(X) = (N_2/N_1) \\times N_1 + (N3/N2) \\times (N_2/N_1) \\times N_1 + \\dots + + N(X) = N_1(1 + N_2/N_1 + (N_3/N_2) \\times (N_2/N_1) + \\dots + + N(X) = N_1(1+ \\Phi_{i,j}/N_e + \\Phi_{i, j}/N_e \\times \\Phi_{i, j+1}/N_e + \\dots) + + + """ + #TODO see if self.ion_populations is None is needed (first class should be enough) + if not hasattr(self, 'ion_populations'): + self.ion_populations = pd.DataFrame(index=self.partition_functions.index.copy(), + columns=np.arange(len(self.t_rads)), dtype=np.float64) + + for atomic_number, groups in phis.groupby(level='atomic_number'): + current_phis = (groups / self.electron_densities).replace(np.nan, 0.0).values + phis_product = np.cumproduct(current_phis, axis=0) + + neutral_atom_density = self.number_densities.ix[atomic_number] / (1 + np.sum(phis_product, axis=0)) + + + + self.ion_populations.ix[atomic_number].values[0] = neutral_atom_density.values + self.ion_populations.ix[atomic_number].values[1:] = neutral_atom_density.values * phis_product + self.ion_populations[self.ion_populations < ion_zero_threshold] = 0.0 + + def calculate_level_populations(self, initialize_nlte=False, excitation_mode='lte'): + """ + Calculate the level populations and putting them in the column 'number-density' of the self.levels table. + :math:`N` denotes the ion number density calculated with `calculate_ionization_balance`, i is the atomic number, + j is the ion number and k is the level number. For non-metastable levels we add the dilution factor (W) to the calculation. + + .. math:: + + N_{i, j, k}(\\textrm{metastable}) &= \\frac{g_k}{Z_{i, j}}\\times N_{i, j} \\times e^{-\\beta_\\textrm{rad} E_k} \\\\ + N_{i, j, k}(\\textrm{not metastable}) &= W\\frac{g_k}{Z_{i, j}}\\times N_{i, j} \\times e^{-\\beta_\\textrm{rad} E_k} \\\\ + + + This function updates the 'number_density' column on the levels table (or adds it if non-existing) + """ + Z = self.partition_functions.ix[self.atom_data.levels.index.droplevel(2)].values + + ion_number_density = self.ion_populations.ix[self.atom_data.levels.index.droplevel(2)].values + + + level_populations = (ion_number_density / Z) * self.level_population_proportionalities + + if excitation_mode == 'lte': + pass + elif excitation_mode == 'dilute-lte': + level_populations[~self.atom_data.levels.metastable] *= np.min([self.ws, np.ones_like(self.ws)],axis=0) + + if initialize_nlte: + self.level_populations.update(level_populations) + else: + self.level_populations.update(level_populations[~self.atom_data.nlte_data.nlte_levels_mask]) + + + def calculate_nlte_level_populations(self): + """ + Calculating the NLTE level populations for specific ions + + """ + + if not hasattr(self, 'beta_sobolevs'): + self.beta_sobolevs = np.zeros_like(self.tau_sobolevs.values) + + macro_atom.calculate_beta_sobolev(self.tau_sobolevs.values.ravel(order='F'), + self.beta_sobolevs.ravel(order='F')) + self.beta_sobolevs_precalculated = True + + if self.nlte_config.get('coronal_approximation', False): + beta_sobolevs = np.ones_like(self.beta_sobolevs) + j_blues = np.zeros_like(self.j_blues) + logger.info('using coronal approximation = setting beta_sobolevs to 1 AND j_blues to 0') + else: + beta_sobolevs = self.beta_sobolevs + j_blues = self.j_blues.values + + if self.nlte_config.get('classical_nebular', False): + logger.info('using Classical Nebular = setting beta_sobolevs to 1') + beta_sobolevs = np.ones_like(self.beta_sobolevs) + + for species in self.nlte_config.species: + logger.info('Calculating rates for species %s', species) + number_of_levels = self.atom_data.levels.energy.ix[species].count() + + level_populations = self.level_populations.ix[species].values + lnl = self.atom_data.nlte_data.lines_level_number_lower[species] + lnu = self.atom_data.nlte_data.lines_level_number_upper[species] + + lines_index = self.atom_data.nlte_data.lines_idx[species] + A_uls = self.atom_data.nlte_data.A_uls[species] + B_uls = self.atom_data.nlte_data.B_uls[species] + B_lus = self.atom_data.nlte_data.B_lus[species] + + r_lu_index = lnu * number_of_levels + lnl + r_ul_index = lnl * number_of_levels + lnu + + r_ul_matrix = np.zeros((number_of_levels, number_of_levels, len(self.t_rads)), dtype=np.float64) + r_ul_matrix_reshaped = r_ul_matrix.reshape((number_of_levels**2, len(self.t_rads))) + r_ul_matrix_reshaped[r_ul_index] = A_uls[np.newaxis].T + B_uls[np.newaxis].T * j_blues[lines_index] + r_ul_matrix_reshaped[r_ul_index] *= beta_sobolevs[lines_index] + + r_lu_matrix = np.zeros_like(r_ul_matrix) + r_lu_matrix_reshaped = r_lu_matrix.reshape((number_of_levels**2, len(self.t_rads))) + r_lu_matrix_reshaped[r_lu_index] = B_lus[np.newaxis].T * j_blues[lines_index] * beta_sobolevs[lines_index] + + collision_matrix = self.atom_data.nlte_data.get_collision_matrix(species, self.t_electrons) * \ + self.electron_densities.values + + + rates_matrix = r_lu_matrix + r_ul_matrix + collision_matrix + + for i in xrange(number_of_levels): + rates_matrix[i, i] = -rates_matrix[:, i].sum(axis=0) + + rates_matrix[0, :, :] = 1.0 + + x = np.zeros(rates_matrix.shape[0]) + x[0] = 1.0 + for i in xrange(len(self.t_rads)): + relative_level_populations = np.linalg.solve(rates_matrix[:, :, i], x) + self.level_populations[i].ix[species] = relative_level_populations * self.ion_populations[i].ix[species] + + return + + + def calculate_tau_sobolev(self): + """ + This function calculates the Sobolev optical depth :math:`\\tau_\\textrm{Sobolev}` + + + + .. math:: + C_\\textrm{Sobolev} = \\frac{\\pi e^2}{m_e c} + + \\tau_\\textrm{Sobolev} = C_\\textrm{Sobolev}\, \\lambda\\, f_{\\textrm{lower}\\rightarrow\\textrm{upper}}\\, + t_\\textrm{explosion}\, N_\\textrm{lower} + + + + .. note:: + Currently we're ignoring the term for stimulated emission: + :math:`(1 - \\frac{g_\\textrm{lower}}{g_\\textrm{upper}}\\frac{N_\\textrm{upper}}{N_\\textrm{lower}})` + + + """ + f_lu = self.atom_data.lines['f_lu'].values + wavelength = self.atom_data.lines['wavelength_cm'].values + + + #todo fix this is a concern the mode='safe' + n_lower = self.level_populations.values.take(self.atom_data.lines_lower2level_idx, axis=0, mode='raise').copy('F') + n_upper = self.level_populations.values.take(self.atom_data.lines_upper2level_idx, axis=0, mode='raise').copy('F') + meta_stable_upper = self.atom_data.levels.metastable.values.take(self.atom_data.lines_upper2level_idx, axis=0, mode='raise') + g_lower = self.atom_data.levels.g.values.take(self.atom_data.lines_lower2level_idx, axis=0, mode='raise') + g_upper = self.atom_data.levels.g.values.take(self.atom_data.lines_upper2level_idx, axis=0, mode='raise') + + + self.stimulated_emission_factor = 1 - ((g_lower[np.newaxis].T * n_upper) / (g_upper[np.newaxis].T * n_lower)) + # getting rid of the obvious culprits + self.stimulated_emission_factor[n_lower == 0.0] = 0.0 + self.stimulated_emission_factor[np.isneginf(self.stimulated_emission_factor)] = 0.0 + self.stimulated_emission_factor[meta_stable_upper[np.newaxis].T & (self.stimulated_emission_factor < 0)] = 0.0 + + if self.nlte_config is not None and self.nlte_config.species != []: + nlte_lines_mask = np.zeros(self.stimulated_emission_factor.shape[0]).astype(bool) + for species in self.nlte_config.species: + nlte_lines_mask |= (self.atom_data.lines.atomic_number == species[0]) & \ + (self.atom_data.lines.ion_number == species[1]) + self.stimulated_emission_factor[(self.stimulated_emission_factor < 0) & nlte_lines_mask[np.newaxis].T] = 0.0 + + + tau_sobolevs = sobolev_coefficient * f_lu[np.newaxis].T * wavelength[np.newaxis].T * self.time_explosion * \ + n_lower * self.stimulated_emission_factor + return pd.DataFrame(tau_sobolevs, index=self.atom_data.lines.index, columns=np.arange(len(self.t_rads))) + + + + + def calculate_transition_probabilities(self): + """ + Updating the Macro Atom computations + """ + + macro_atom_data = self.atom_data.macro_atom_data + if not hasattr(self, 'beta_sobolevs'): + self.beta_sobolevs = np.zeros_like(self.tau_sobolevs.values) + + if not self.beta_sobolevs_precalculated: + macro_atom.calculate_beta_sobolev(self.tau_sobolevs.values.ravel(order='F'), + self.beta_sobolevs.ravel(order='F')) + + transition_probabilities = (macro_atom_data.transition_probability.values[np.newaxis].T * + self.beta_sobolevs.take(self.atom_data.macro_atom_data.lines_idx.values.astype(int), + axis=0, mode='raise')).copy('F') + transition_up_filter = (macro_atom_data.transition_type == 1).values + macro_atom_transition_up_filter = macro_atom_data.lines_idx.values[transition_up_filter] + j_blues = self.j_blues.values.take(macro_atom_transition_up_filter, axis=0, mode='raise') + macro_stimulated_emission = self.stimulated_emission_factor.take(macro_atom_transition_up_filter, axis=0, mode='raise') + transition_probabilities[transition_up_filter] *= j_blues * macro_stimulated_emission + #Normalizing the probabilities + block_references = np.hstack((self.atom_data.macro_atom_references.block_references, + len(macro_atom_data))) + macro_atom.normalize_transition_probabilities(transition_probabilities, block_references) + return pd.DataFrame(transition_probabilities, index=macro_atom_data.transition_line_id, + columns=self.tau_sobolevs.columns) + + + def calculate_bound_free(self): + #TODO DOCUMENTATION missing!!! + """ + None + + """ + nu_bins = range(1000, 10000, 1000) #TODO: get the binning from the input file. + try: + bf = np.zeros(len(self.atom_data.levels), len(self.atom_data.selected_atomic_numbers), len(nu_bins)) + except AttributeError: + logger.critical("Err creating the bf array.") + + phis = self.calculate_saha() + nnlevel = self.level_populations + for nu in nu_bins: + for i, (level_id, level) in enumerate(self.atom_data.levels.iterrows()): + atomic_number = level.name[0] + ion_number = level.name[1] + level_number = level.name[2] + sigma_bf_th = self.atom_data.ion_cx_th.ix[atomic_number, ion_number, level_number] + phi = phis.ix[atomic_number, ion_number] + + + def to_hdf5(self, hdf5_store, path, mode='full'): + """ + + param hdf5_store: + :param path: + :return: + """ + if mode == 'full': + partition_functions_path = os.path.join(path, 'partition_functions') + self.partition_functions.to_hdf(hdf5_store, partition_functions_path) + + ion_populations_path = os.path.join(path, 'ion_populations') + self.ion_populations.to_hdf(hdf5_store, ion_populations_path) + + level_populations_path = os.path.join(path, 'level_populations') + self.level_populations.to_hdf(hdf5_store, level_populations_path) + + j_blues_path = os.path.join(path, 'j_blues') + pd.Series(self.j_blues).to_hdf(hdf5_store, j_blues_path) + + number_density_path = os.path.join(path, 'number_density') + self.number_density.to_hdf(hdf5_store, number_density_path) + + tau_sobolevs_path = os.path.join(path, 'tau_sobolevs') + pd.Series(self.tau_sobolevs).to_hdf(hdf5_store, tau_sobolevs_path) + + transition_probabilities_path = os.path.join(path, 'transition_probabilities') + transition_probabilities = self.calculate_transition_probabilities() + pd.Series(transition_probabilities).to_hdf(hdf5_store, transition_probabilities_path) + + else: + raise NotImplementedError('Currently only mode="full" is supported.') + + + + + + + + + + + + + diff --git a/tardis/tests/data/simple_test_spectrum.dat b/tardis/tests/data/simple_test_spectrum.dat index 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+5.003903044374612250e+02 0.000000000000000000e+00 +5.003414830621899227e+02 0.000000000000000000e+00 +5.002926712126593998e+02 0.000000000000000000e+00 +5.002438688860819411e+02 0.000000000000000000e+00 +5.001950760796710256e+02 0.000000000000000000e+00 +5.001462927906412688e+02 0.000000000000000000e+00 +5.000975190162081390e+02 0.000000000000000000e+00 +5.000487547535884687e+02 0.000000000000000000e+00 diff --git a/tardis/tests/test_lte_plasma.py b/tardis/tests/test_lte_plasma.py index c72a25a3854..67b3e5242e8 100644 --- a/tardis/tests/test_lte_plasma.py +++ b/tardis/tests/test_lte_plasma.py @@ -1,4 +1,4 @@ -from tardis import atomic +from tardis import plasma_array as plasma, atomic from astropy import constants import numpy as np import pytest @@ -8,7 +8,7 @@ pytestmark = pytest.mark.skipif(True, reason='to be implemented') -@pytest.mark.xskip + class TestNormalLTEPlasma: compare_part_func = np.array([11.406201367482032, 5.866632552894803, 1.0044215520812598, 2.0002017142942163, diff --git a/tardis/tests/test_plasma_nlte.py b/tardis/tests/test_plasma_nlte.py index c5dbc441685..c66aad332f0 100644 --- a/tardis/tests/test_plasma_nlte.py +++ b/tardis/tests/test_plasma_nlte.py @@ -2,7 +2,7 @@ import numpy as np import pandas as pd import pytest -from tardis import atomic +from tardis import plasma_array, atomic from tardis.util import intensity_black_body from tardis.io.config_reader import ConfigurationNameSpace import os @@ -34,7 +34,6 @@ def pytest_generate_tests(metafunc): metafunc.parametrize(argnames, [[funcargs[name] for name in argnames] for funcargs in funcarglist]) -''' class TestNLTELTEApproximation(object): params = {"test_He_ltelevelpops" : [dict(ion_number = 0), @@ -71,7 +70,6 @@ def test_He_ltelevelpops(self, ion_number): self.plasma.level_populations[0]. ix[(2,ion_number)].values) -@pytest.mark.xskip class TestNLTE(object): params = {"test_He_dilutelevelpops" : [dict(dummy = 0) ], @@ -102,5 +100,5 @@ def test_He_dilutelevelpops(self, dummy): def test_He_dilutelevelpops_isnotLTE(self, ion_number): lte_pops = self.atom_data.levels["g"].ix[(2,ion_number)].values * np.exp(- self.atom_data.levels["energy"].ix[(2,ion_number)].values * u.erg / const.k_B / self.plasma.t_rads / u.K).value assert not np.allclose(lte_pops, self.atom_data.levels["g"].ix[(2,ion_number)][0]*self.plasma.level_populations[0].ix[(2,ion_number)].values, atol=0) -''' + diff --git a/tardis/tests/test_plasma_simple.py b/tardis/tests/test_plasma_simple.py index 5197d65166d..6ec823256e5 100644 --- a/tardis/tests/test_plasma_simple.py +++ b/tardis/tests/test_plasma_simple.py @@ -1,13 +1,13 @@ from astropy import constants as const, units as u import os import tardis -from tardis import atomic +from tardis import plasma_array, atomic import pytest #from numpy.testing import assert_allclose data_path = os.path.join(tardis.__path__[0], 'tests', 'data') helium_test_db = os.path.join(data_path, 'chianti_he_db.h5') -''' + class TestNebularPlasma(object): def setup(self): @@ -21,5 +21,4 @@ def test_high_temperature(self): self.plasma.update_radiationfield([100000.], [1.]) assert str(excinfo.value).startswith('t_rads outside of zeta ' - 'factor interpolation') -''' \ No newline at end of file + 'factor interpolation') \ No newline at end of file diff --git a/tardis/tests/test_tardis_full.py b/tardis/tests/test_tardis_full.py index d00bc0e3b53..34144460400 100644 --- a/tardis/tests/test_tardis_full.py +++ b/tardis/tests/test_tardis_full.py @@ -26,22 +26,21 @@ class TestSimpleRun(): def setup(self): self.atom_data_filename = os.path.expanduser(os.path.expandvars( pytest.config.getvalue('atomic-dataset'))) - assert os.path.exists(self.atom_data_filename), ("{0} atomic datafiles" - " does not seem to " + assert os.path.exists(self.atom_data_filename), ("{0} atomic datafiles " + "does not seem to " "exist".format( self.atom_data_filename)) - self.config_yaml = yaml.load(open( - 'tardis/io/tests/data/tardis_configv1_verysimple.yml')) + self.config_yaml = yaml.load(open('tardis/io/tests/data/tardis_configv1_verysimple.yml')) self.config_yaml['atom_data'] = self.atom_data_filename self.model = run_tardis(self.config_yaml) def test_spectrum(self): - luminosity_density = \ + wavelength, luminosity_density = \ np.loadtxt(data_path('simple_test_spectrum.dat'), unpack=True) luminosity_density = luminosity_density * u.Unit('erg / (Angstrom s)') - np.testing.assert_allclose( - self.model.spectrum.luminosity_density_lambda,luminosity_density) + np.testing.assert_allclose(self.model.spectrum.luminosity_density_lambda, + luminosity_density)