Methods
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__init__
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__init__ ( self, structure=None )
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_get_atom_line
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_get_atom_line ( self, a )
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_get_body
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_get_body ( self )
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_get_bond_line
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_get_bond_line ( self, b )
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_get_counts_line
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_get_counts_line ( self )
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_get_header
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_get_header ( self )
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_get_molfile_charge
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_get_molfile_charge (
self,
charge,
multiplicity,
)
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_read_atom
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_read_atom ( self, file )
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_read_body
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_read_body ( self, file )
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_read_bond
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_read_bond ( self, file )
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_read_header
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_read_header ( self, file )
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_read_molfile_charge
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_read_molfile_charge ( self, value )
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_write_body
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_write_body ( self, file )
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_write_counts_line
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_write_counts_line ( self, file )
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_write_header
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_write_header ( self, file )
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get_structure
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get_structure ( self )
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get_text
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get_text ( self )
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read_file
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read_file ( self, file )
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set_structure
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set_structure ( self, structure )
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write_file
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write_file ( self, file )
file should be a writable file object
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