Chemical Descriptors Library: remove_cdl_implicit_hydrogens()
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Remove Implicit Hydrogens
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remove_cdl_implicit_hydrogens
Prototype
template <class Molecule>
void remove_cdl_implicit_hydrogens (Molecule& m, bool reinitialize_props = true);
Arguments
| Parameter | Description | Models |
| m |
The molecule |
CDL molecule |
| reinitialize_props |
Flag that indicates the algorithm wheather reinitialize the props or
nor. Defaulted to true |
bool |
Description
Removes just the hydrogens added by the CDL. Generally this hydrogens were explicit.
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
