RDKit::StructureCheck::ChargeFix Class Reference

#include <ReCharge.h>

Public Member Functions
	ChargeFix (const StructCheckerOptions &op, RWMol &mol)
bool	rechargeMolecule (unsigned &ndeprot, unsigned &nrefine)

Detailed Description

Definition at line 23 of file ReCharge.h.

Constructor & Destructor Documentation

ChargeFix()

RDKit::StructureCheck::ChargeFix::ChargeFix ( const StructCheckerOptions &  op, RWMol &  mol  )

inline

Definition at line 32 of file ReCharge.h.

Member Function Documentation

rechargeMolecule()

bool RDKit::StructureCheck::ChargeFix::rechargeMolecule	(	unsigned &	ndeprot,
		unsigned &	nrefine
	)

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The documentation for this class was generated from the following file:

• ReCharge.h