generate machine parameter docs for simplify and init

doc/conf.py

@@ -40,6 +40,7 @@
 
 extensions = [
     'deepmodeling_sphinx',
+    'dargs.sphinx',
     "sphinx_rtd_theme",
     'myst_parser',
     'sphinx.ext.autosummary',

doc/index.rst

@@ -32,6 +32,9 @@ DPGEN's documentation
    :maxdepth: 2
    :caption: Init   
 
+   init/init-bulk-mdata
+   init/init-surf-mdata
+   init/init-reaction-mdata
 
 .. _autotest::
 
@@ -46,6 +49,8 @@ DPGEN's documentation
    :maxdepth: 2
    :caption: Simplify  
 
+   simplify/simplify-mdata
+
 
 .. _tutorial:
 

doc/init/init-bulk-mdata.rst

@@ -0,0 +1,6 @@
+dpgen init_bulk machine parameters
+==================================
+
+.. dargs::
+   :module: dpgen.data.arginfo
+   :func: init_bulk_mdata_arginfo

doc/init/init-reaction-mdata.rst

@@ -0,0 +1,6 @@
+dpgen init_reaction machine parameters
+======================================
+
+.. dargs::
+   :module: dpgen.data.arginfo
+   :func: init_reaction_mdata_arginfo

doc/init/init-surf-mdata.rst

@@ -0,0 +1,6 @@
+dpgen init_surf machine parameters
+==================================
+
+.. dargs::
+   :module: dpgen.data.arginfo
+   :func: init_surf_mdata_arginfo

doc/simplify/simplify-mdata.rst

@@ -0,0 +1,6 @@
+dpgen simplify machine parameters
+=================================
+
+.. dargs::
+   :module: dpgen.simplify.arginfo
+   :func: simplify_mdata_arginfo

dpgen/arginfo.py

@@ -0,0 +1,35 @@
+from typing import Tuple
+
+from dargs import Argument
+
+from dpgen.dispatcher.Dispatcher import mdata_arginfo
+
+
+def general_mdata_arginfo(name: str, tasks: Tuple[str]) -> Argument:
+    """Generate arginfo for general mdata.
+
+    Parameters
+    ----------
+    name : str
+        mdata name
+    tasks : tuple[str]
+        tuple of task keys, e.g. ("train", "model_devi", "fp")
+
+    Returns
+    -------
+    Argument
+        arginfo
+    """
+
+    doc_api_version = "Please set to 1.0"
+    doc_run_mdata = "machine.json file"
+    arg_api_version = Argument("api_version", str, optional=False, doc=doc_api_version)
+
+    sub_fields = [arg_api_version]
+    doc_mdata = "Parameters of command, machine, and resources for %s"
+    for task in tasks:
+        sub_fields.append(Argument(
+            task, dict, optional=False, sub_fields=mdata_arginfo(),
+            doc=doc_mdata % task,
+        ))
+    return Argument(name, dict, sub_fields=sub_fields, doc=doc_run_mdata)

dpgen/data/arginfo.py

@@ -0,0 +1,36 @@
+from dargs import Argument
+
+from dpgen.arginfo import general_mdata_arginfo
+
+
+def init_bulk_mdata_arginfo() -> Argument:
+    """Generate arginfo for dpgen init_bulk mdata.
+
+    Returns
+    -------
+    Argument
+        arginfo
+    """
+    return general_mdata_arginfo("init_bulk_mdata", ("fp",))
+
+
+def init_surf_mdata_arginfo() -> Argument:
+    """Generate arginfo for dpgen init_surf mdata.
+
+    Returns
+    -------
+    Argument
+        arginfo
+    """
+    return general_mdata_arginfo("init_surf_mdata", ("fp",))
+
+
+def init_reaction_mdata_arginfo() -> Argument:
+    """Generate arginfo for dpgen init_reaction mdata.
+
+    Returns
+    -------
+    Argument
+        arginfo
+    """
+    return general_mdata_arginfo("init_reaction_mdata", ("reaxff", "build", "fp"))

dpgen/generator/arginfo.py

@@ -1,6 +1,6 @@
 from dargs import Argument
 
-from dpgen.dispatcher.Dispatcher import mdata_arginfo
+from dpgen.arginfo import general_mdata_arginfo
 
 def run_mdata_arginfo() -> Argument:
     """Generate arginfo for dpgen run mdata.
@@ -10,16 +10,4 @@ def run_mdata_arginfo() -> Argument:
     Argument
         arginfo
     """
-
-    doc_api_version = "Please set to 1.0"
-    doc_run_mdata = "machine.json file"
-    arg_api_version = Argument("api_version", str, optional=False, doc=doc_api_version)
-
-    sub_fields = [arg_api_version]
-    doc_mdata = "Parameters of command, machine, and resources for %s"
-    for task in ("train", "model_devi", "fp"):
-        sub_fields.append(Argument(
-            task, dict, optional=False, sub_fields=mdata_arginfo(),
-            doc=doc_mdata % task,
-        ))
-    return Argument("run_mdata", dict, sub_fields=sub_fields, doc=doc_run_mdata)
+    return general_mdata_arginfo("run_mdata", ("train", "model_devi", "fp"))

dpgen/simplify/arginfo.py

@@ -0,0 +1,13 @@
+from dargs import Argument
+
+from dpgen.arginfo import general_mdata_arginfo
+
+def simplify_mdata_arginfo() -> Argument:
+    """Generate arginfo for dpgen simplify mdata.
+
+    Returns
+    -------
+    Argument
+        arginfo
+    """
+    return general_mdata_arginfo("simplify_mdata", ("train", "model_devi", "fp"))