pymatgen.analysis.chemenv.utils.defs_utils module¶

This module contains the definition of some objects used in the chemenv package.

class AdditionalConditions[source]¶

Bases: object

Class for additional conditions.

ALL = [0, 1, 2, 3, 4][source]¶

CONDITION_DESCRIPTION = {0: 'No additional condition', 1: 'Only anion-cation bonds', 2: 'No element-element bonds (same elements)', 3: 'Only anion-cation bonds and no element-element bonds (same elements)', 4: 'Only element-oxygen bonds'}[source]¶

NONE = 0[source]¶

NO_AC = 0[source]¶

NO_ADDITIONAL_CONDITION = 0[source]¶

NO_E2SEB = 2[source]¶

NO_ELEMENT_TO_SAME_ELEMENT_BONDS = 2[source]¶

ONLY_ACB = 1[source]¶

ONLY_ACB_AND_NO_E2SEB = 3[source]¶

ONLY_ANION_CATION_BONDS = 1[source]¶

ONLY_ANION_CATION_BONDS_AND_NO_ELEMENT_TO_SAME_ELEMENT_BONDS = 3[source]¶

ONLY_E2OB = 4[source]¶

ONLY_ELEMENT_TO_OXYGEN_BONDS = 4[source]¶

check_condition(condition, structure, parameters)[source]¶

Parameters

condition –
structure –
parameters –

Returns

chemenv_citations()[source]¶

Returns