DistGeom::TorsionRange Struct Reference

#include <ZMatrixUtils.h>

Public Member Functions
	TorsionRange (double lower, double upper)
	TorsionRange (int64_t qLower, int64_t qUpper)
bool	qContains (const int64_t value) const
bool	contains (const double value) const
double	width () const
bool	operator< (const TorsionRange &other) const
bool	operator== (const TorsionRange &other) const
double	sample (RDKit::double_source_type &rng) const

Public Attributes
double	lower
double	upper

Detailed Description

Definition at line 54 of file ZMatrixUtils.h.

Constructor & Destructor Documentation

TorsionRange() [1/2]

DistGeom::TorsionRange::TorsionRange ( double lower, double upper )

inline

Definition at line 57 of file ZMatrixUtils.h.

References lower, M_PI, PRECONDITION, DistGeom::quantize(), and upper.

Referenced by operator<(), and operator==().

TorsionRange() [2/2]

DistGeom::TorsionRange::TorsionRange ( int64_t qLower, int64_t qUpper )

inline

Definition at line 68 of file ZMatrixUtils.h.

References lower, and upper.

Member Function Documentation

contains()

bool DistGeom::TorsionRange::contains ( const double value ) const

inline

Definition at line 82 of file ZMatrixUtils.h.

References qContains(), and DistGeom::quantize().

operator<()

bool DistGeom::TorsionRange::operator< ( const TorsionRange & other ) const

inline

Definition at line 93 of file ZMatrixUtils.h.

References TorsionRange(), and width().

operator==()

bool DistGeom::TorsionRange::operator== ( const TorsionRange & other ) const

inline

Definition at line 97 of file ZMatrixUtils.h.

References TorsionRange().

qContains()

bool DistGeom::TorsionRange::qContains ( const int64_t value ) const

inline

Definition at line 74 of file ZMatrixUtils.h.

Referenced by contains().

sample()

double DistGeom::TorsionRange::sample ( RDKit::double_source_type & rng ) const

inline

Definition at line 101 of file ZMatrixUtils.h.

References lower, and upper.

width()

double DistGeom::TorsionRange::width ( ) const

inline

Definition at line 84 of file ZMatrixUtils.h.

References lower, M_PI, and upper.

Referenced by operator<().

Member Data Documentation

lower

double DistGeom::TorsionRange::lower

Definition at line 55 of file ZMatrixUtils.h.

Referenced by sample(), TorsionRange(), TorsionRange(), and width().

upper

double DistGeom::TorsionRange::upper

Definition at line 55 of file ZMatrixUtils.h.

Referenced by sample(), TorsionRange(), TorsionRange(), and width().

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

• ZMatrixUtils.h