read_structure_step.formats.extxyz package#
Submodules#
read_structure_step.formats.extxyz.extxyz module#
The reader/write for the ASE extended XYZ files, .extxyz
- read_structure_step.formats.extxyz.extxyz.quoted(value)[source]#
A value for the comment line of an extended XYZ file: in double quotes, with any backslash or double quote in it escaped, so that a value with spaces, ‘=’ or quotes reads back as itself – here and in ASE. (ASE does not quote a value that only contains ‘=’, and then reads ‘a_toO= pbc=”F F F”’ as the one value ‘a_toO=pbc=F F F’.)