MMFF94BondStretchingRuleParameterTable.hpp File Reference

Definition of class CDPL::ForceField::MMFF94BondStretchingRuleParameterTable. More...

#include <cstddef>
#include <cstdint>
#include <iosfwd>
#include <unordered_map>
#include <memory>
#include <functional>
#include <boost/iterator/transform_iterator.hpp>
#include "CDPL/ForceField/APIPrefix.hpp"

Go to the source code of this file.

Classes
class	CDPL::ForceField::MMFF94BondStretchingRuleParameterTable
	Lookup table mapping (atomic-number 1, atomic-number 2) pairs to fallback MMFF94 bond-stretching parameters used when no atom-type-specific entry is available. More...
class	CDPL::ForceField::MMFF94BondStretchingRuleParameterTable::Entry
	A single rule-based bond-stretching parameter record. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::ForceField
	Contains classes and functions related to molecular force fields.

Detailed Description

Definition of class CDPL::ForceField::MMFF94BondStretchingRuleParameterTable.