RDKit::AtomCoordsMatchFunctor Struct Reference

#include <SubstructMatch.h>

Public Member Functions
	AtomCoordsMatchFunctor (int refConfId=-1, int queryConfId=-1, double tol=1e-4)
bool	operator() (const Atom &queryAtom, const Atom &targetAtom) const

Public Attributes
int	d_refConfId = -1
int	d_queryConfId = -1
double	d_tol2 = 1e-8

Detailed Description

Definition at line 272 of file SubstructMatch.h.

Constructor & Destructor Documentation

AtomCoordsMatchFunctor()

RDKit::AtomCoordsMatchFunctor::AtomCoordsMatchFunctor ( int refConfId = -1, int queryConfId = -1, double tol = 1e-4 )

inline

Definition at line 276 of file SubstructMatch.h.

References d_queryConfId, d_refConfId, and d_tol2.

Member Function Documentation

operator()()

bool RDKit::AtomCoordsMatchFunctor::operator()	(	const Atom &	queryAtom,
		const Atom &	targetAtom ) const

Member Data Documentation

d_queryConfId

int RDKit::AtomCoordsMatchFunctor::d_queryConfId = -1

Definition at line 274 of file SubstructMatch.h.

Referenced by AtomCoordsMatchFunctor().

d_refConfId

int RDKit::AtomCoordsMatchFunctor::d_refConfId = -1

Definition at line 273 of file SubstructMatch.h.

Referenced by AtomCoordsMatchFunctor().

d_tol2

double RDKit::AtomCoordsMatchFunctor::d_tol2 = 1e-8

Definition at line 275 of file SubstructMatch.h.

Referenced by AtomCoordsMatchFunctor().

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

• SubstructMatch.h