chemistry_tools.pubchem.enums
¶
Attention
This package has the following additional requirements:
cawdrey>=0.1.7 mathematical>=0.1.13 pillow>=7.0.0 pyparsing>=2.4.6 tabulate>=0.8.9
These can be installed as follows:
python -m pip install chemistry-tools[pubchem]
Enumerations.
Classes:
|
Enumeration of valid values for the coordinate type. |
|
Enumeration of supported formats for the PubChem REST API. |
|
Enumeration of possible values for the PubChem namespace. |
-
enum
CoordinateType
(value)[source]¶ Bases:
enum_tools.custom_enums.IntEnum
Enumeration of valid values for the coordinate type.
- Member Type
Valid values are as follows:
-
TWO_D
= <CoordinateType.TWO_D: 1>¶
-
THREE_D
= <CoordinateType.THREE_D: 2>¶
-
SUBMITTED
= <CoordinateType.SUBMITTED: 3>¶
-
EXPERIMENTAL
= <CoordinateType.EXPERIMENTAL: 4>¶
-
COMPUTED
= <CoordinateType.COMPUTED: 5>¶
-
STANDARDIZED
= <CoordinateType.STANDARDIZED: 6>¶
-
AUGMENTED
= <CoordinateType.AUGMENTED: 7>¶
-
ALIGNED
= <CoordinateType.ALIGNED: 8>¶
-
COMPACT
= <CoordinateType.COMPACT: 9>¶
-
UNITS_ANGSTROMS
= <CoordinateType.UNITS_ANGSTROMS: 10>¶
-
UNITS_NANOMETERS
= <CoordinateType.UNITS_NANOMETERS: 11>¶
-
UNITS_PIXEL
= <CoordinateType.UNITS_PIXEL: 12>¶
-
UNITS_POINTS
= <CoordinateType.UNITS_POINTS: 13>¶
-
UNITS_STDBONDS
= <CoordinateType.UNITS_STDBONDS: 14>¶
-
UNITS_UNKNOWN
= <CoordinateType.UNITS_UNKNOWN: 255>¶
The
Enum
and its members also have the following methods:
-
enum
PubChemFormats
(value)[source]¶ Bases:
enum_tools.custom_enums.StrEnum
Enumeration of supported formats for the PubChem REST API.
- Member Type
Valid values are as follows:
-
JSON
= <PubChemFormats.JSON: 'JSON'>¶ JSON Format
-
XML
= <PubChemFormats.XML: 'XML'>¶ XML Format
-
CSV
= <PubChemFormats.CSV: 'CSV'>¶ CSV Format
-
PNG
= <PubChemFormats.PNG: 'PNG'>¶ PNG Format
The
Enum
and its members also have the following methods:
-
enum
PubChemNamespace
(value)[source]¶ Bases:
enum_tools.custom_enums.StrEnum
Enumeration of possible values for the PubChem namespace.
- Member Type
Valid values are as follows:
-
CID
= <PubChemNamespace.CID: 'cid'>¶ PubChem Compound ID
-
Name
= <PubChemNamespace.Name: 'name'>¶ Compound Name
-
SMILES
= <PubChemNamespace.SMILES: 'smiles'>¶ SMILES String
-
INCHIKEY
= <PubChemNamespace.INCHIKEY: 'inchikey'>¶ InChI Key
The
Enum
and its members also have the following methods: