Chemical Descriptors Library: remove_hydrogens()
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Remove Hydrogens
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remove_hydrogens
Prototype
template <class Molecule>
void remove_hydrogens(Molecule& m, const bool reinitialize_props = true);
Arguments
| Parameter | Description | Models |
| m |
The molecule |
CDL molecule |
| reinitialize_props |
Flag to indicate that the algorithm would reinitialize the properties.
Defaulted to true |
bool |
Description
Removes ALL hydrogens from the molecule. This function is possible faster than
get_filtered_graph() member of the molecule class.
Definition
#include <morpho/cdl/molecule/algorithms/mol_algo.hpp>
Preconditions
Complexity
References
Copyright © Vladimir Josef Sykora & Morphochem AG 2003
Copyright © Vladimir Josef Sykora 2003-2006
