Methods
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__init__
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__init__ ( self, structure=None )
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_get_hs_in_moving_hydrogen
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_get_hs_in_moving_hydrogen ( self, chunk )
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_get_version
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_get_version ( self, ver )
returns a tuple of two version numbers
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_process_moving_hydrogen
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_process_moving_hydrogen ( self, chunk )
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get_number_of_hydrogens_in_hydrogen_layer
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get_number_of_hydrogens_in_hydrogen_layer ( self, layer )
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get_structure
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get_structure ( self )
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read_connectivity_layer
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read_connectivity_layer ( self, layer )
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read_hydrogen_layer
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read_hydrogen_layer ( self, layer )
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read_inchi
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read_inchi ( self, text )
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read_sum_layer
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read_sum_layer (
self,
layer,
hs_in_hydrogen_layer,
)
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set_structure
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set_structure ( self, structure )
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split_layers
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split_layers ( self, text )
Exceptions
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"no '%s' tag found in xml string" % name
"no structures found in xml string %s" % text
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