hexrd.material.mksupport module

hexrd.material.mksupport.GetAsymmetricPositions(aniU)[source]
hexrd.material.mksupport.GetAtomInfo()[source]
hexrd.material.mksupport.GetLatticeParameters(xtal_sys, bool_trigonal)[source]
hexrd.material.mksupport.GetOccDW(aniU=0)[source]
hexrd.material.mksupport.GetSpaceGroup(xtal_sys, btrigonal, bhexset)[source]
hexrd.material.mksupport.GetXtalSystem()[source]
hexrd.material.mksupport.SpaceGroupSetting(sgnum)[source]
hexrd.material.mksupport.Write2H5File(AtomInfo, lat_param, path=None)[source]
hexrd.material.mksupport.WriteH5Data(fid, AtomInfo, lat_param, path=None)[source]

@DATE 02/09/2021 SS added hkls, exclusions and dmin to material.h5 file output @Date 01/14/2022 SS added tThWidth to materials file

hexrd.material.mksupport.mk(filename, xtalname)[source]