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: Structure, parameters)[source]

Parameters:

condition –
structure –
parameters –

Returns:

chemenv_citations()[source]

Returns: