sisl.io.molden module¶
Sile object for reading/writing XYZ files
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class
sisl.io.molden.
MoldenSile
(filename, mode='r', comment='#')[source]¶ Bases:
sisl.io.sile.Sile
Molden file object
Attributes
file
File of the current Sile
Methods
ArgumentParser
(*args, **kwargs)Returns the arguments that is available for this Sile ArgumentParser_out
([parser])Appends additional arguments based on the output of the file is_keys
(keys)Returns true if isinstance(keys,(list,np.ndarray))
key2case
(key, case)Converts str/list of keywords to proper case keys2case
(keys, case)Converts str/list of keywords to proper case line_has_key
(line, key[, case])line_has_keys
(line, keys[, case])read
(*args, **kwargs)Generic read method which should be overloaded in child-classes readline
([comment])Reads the next line of the file step_either
(keywords[, case])Steps the file-handle until the keyword is found in the input step_to
(keywords[, case])Steps the file-handle until the keyword is found in the input write
(*args, **kwargs)Generic write method which should be overloaded in child-classes write_geom
(*args, **kwargs)write_sc
(*args, **kwargs)-
write_geom
(*args, **kwargs)¶
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write_sc
(*args, **kwargs)¶
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