httk.atomistic.atomisticio package

Submodules

httk.atomistic.atomisticio.structure_cif_io module

httk.atomistic.atomisticio.structure_cif_io.cif_reader_httk_preprocessed(ioa)[source]
httk.atomistic.atomisticio.structure_cif_io.cif_reader_that_can_only_read_isotropy_cif(ioa)[source]
httk.atomistic.atomisticio.structure_cif_io.cif_to_struct(ioa, backends=['internal', 'cif2cell', 'ase', 'platon'])[source]
httk.atomistic.atomisticio.structure_cif_io.cifdata_to_struct(cifdata, debug=False)[source]
httk.atomistic.atomisticio.structure_cif_io.struct_to_cif(struct, ioa, backends=['httk'])[source]
httk.atomistic.atomisticio.structure_cif_io.struct_to_cif_httk_simplified(struct, ioa, header=None, symops=True)[source]
httk.atomistic.atomisticio.structure_cif_io.struct_to_cifdata(struct, entryid=None)[source]

httk.atomistic.atomisticio.structure_io module

httk.atomistic.atomisticio.structure_io.load_struct(ioa, ext=None, filename=None)[source]

Load structure data from a file into a Structure

httk.atomistic.atomisticio.structure_io.save_struct(struct, ioa, ext=None)[source]

Save structure data from a file into a Structure

httk.atomistic.atomisticio.structureioplugin module

class httk.atomistic.atomisticio.structureioplugin.StructureIoPlugin[source]

Bases: httk.core.httkobject.HttkPlugin

classmethod load(ioa, ext=None, filename=None)[source]
plugin_init(struct)[source]
save(ioa, ext=None)[source]

Module contents