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Replace filter/property example 'bandgap' with 'band_gap' for clarity #358

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26 changes: 17 additions & 9 deletions optimade.rst
Original file line number Diff line number Diff line change
Expand Up @@ -357,7 +357,9 @@ Visiting this URL in a web browser gives a human-readable description of how to

API implementations SHOULD NOT make up and use new prefixes without first getting them registered in the official list.

**Examples**: A database-provider-specific prefix: ``exmpl``. Used as a field name in a response: :field:`_exmpl_custom_field`.
**Examples**:

- A database-provider-specific prefix: ``exmpl``. Used as a field name in a response: :field:`_exmpl_custom_field`.

The initial underscore indicates an identifier that is under a separate namespace under the ownership of that organization.
Identifiers prefixed with underscores will not be used for standardized names.
Expand Down Expand Up @@ -416,7 +418,7 @@ The rationale for treating properties from other databases as unknown rather tha

For example, the following query can be sent to API implementations `exmpl1` and `exmpl2` without generating any errors:

:filter:`filter=_exmpl1_bandgap<2.0 OR _exmpl2_bandgap<2.5`
:filter:`filter=_exmpl1_band_gap<2.0 OR _exmpl2_band_gap<2.5`

Responses
=========
Expand Down Expand Up @@ -1539,7 +1541,7 @@ Examples:
- :filter:`_exmpl_aax <= +.1e8 OR nelements >= 10 AND NOT ( _exmpl_x != "Some string" OR NOT _exmpl_a = 7)`
- :filter:`_exmpl_spacegroup="P2"`
- :filter:`_exmpl_cell_volume<100.0`
- :filter:`_exmpl_bandgap > 5.0 AND _exmpl_molecular_weight < 350`
- :filter:`_exmpl_band_gap > 5.0 AND _exmpl_molecular_weight < 350`
- :filter:`_exmpl_melting_point<300 AND nelements=4 AND chemical_formula_descriptive="SiO2"`
- :filter:`_exmpl_some_string_property = 42` (This is syntactically allowed without putting 42 in quotation marks, see the notes about comparisons of values of different types below.)
- :filter:`5 < _exmpl_a`
Expand Down Expand Up @@ -1799,11 +1801,11 @@ database-provider-specific properties

- **Examples**: A few examples of valid database-provided-specific property names follows:

- \_exmpl\_formula\_sum
- \_exmpl\_band\_gap
- \_exmpl\_supercell
- \_exmpl\_trajectory
- \_exmpl\_workflow\_id
- :property:`_exmpl_formula_sum`
- :property:`_exmpl_band_gap`
- :property:`_exmpl_supercell`
- :property:`_exmpl_trajectory`
- :property:`_exmpl_workflow_id`

Structures Entries
------------------
Expand All @@ -1829,8 +1831,10 @@ elements
- :val:`["Al","O","Si"]`

- **Query examples**:

- A filter that matches all records of structures that contain Si, Al **and** O, and possibly other elements: :filter:`elements HAS ALL "Si", "Al", "O"`.
- To match structures with exactly these three elements, use :filter:`elements HAS ALL "Si", "Al", "O" AND elements LENGTH 3`.
- Note: length queries on this property can be equivalently formulated by filtering on the `nelements`_ property directly.

nelements
~~~~~~~~~
Expand All @@ -1841,6 +1845,7 @@ nelements

- **Support**: SHOULD be supported by all implementations, i.e., SHOULD NOT be :val:`null`.
- **Query**: MUST be a queryable property with support for all mandatory filter features.
- The integer value MUST be equal to the length of the `elements`_ property.

- **Examples**:

Expand Down Expand Up @@ -1980,6 +1985,7 @@ chemical\_formula\_anonymous
- :val:`"A42B42C16D12E10F9G5"`

- **Querying**:

- A filter that matches an exactly given formula is :filter:`chemical_formula_anonymous="A2B"`.

dimension\_types
Expand Down Expand Up @@ -2308,7 +2314,9 @@ structure\_features
- :val:`site_attachments`: this flag MUST be present if any one entry in the `species`_ list includes :field:`attached` and :field:`nattached`.
- :val:`assemblies`: this flag MUST be present if the property `assemblies`_ is present.

- **Examples**: A structure having implicit atoms and using assemblies: :val:`["assemblies", "implicit_atoms"]`
- **Examples**:

- A structure having implicit atoms and using assemblies: :val:`["assemblies", "implicit_atoms"]`

Calculations Entries
--------------------
Expand Down