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Public Member Functions
StereoChemicalBondViolation Class Reference

#include <filter_clashes.hh>

Public Member Functions

 StereoChemicalBondViolation ()
 
 StereoChemicalBondViolation (const UniqueAtomIdentifier &atom1, const UniqueAtomIdentifier &atom2, Real mdl_value, std::pair< Real, Real > allowed_range)
 
UniqueAtomIdentifier GetFirstAtom () const
 
UniqueAtomIdentifier GetSecondAtom () const
 
Real GetBondLength () const
 
std::pair< Real, RealGetAllowedRange () const
 

Detailed Description

Definition at line 79 of file filter_clashes.hh.

Constructor & Destructor Documentation

Definition at line 82 of file filter_clashes.hh.

StereoChemicalBondViolation ( const UniqueAtomIdentifier atom1,
const UniqueAtomIdentifier atom2,
Real  mdl_value,
std::pair< Real, Real allowed_range 
)
inline

Definition at line 84 of file filter_clashes.hh.

Member Function Documentation

std::pair<Real,Real> GetAllowedRange ( ) const
inline

Definition at line 91 of file filter_clashes.hh.

Real GetBondLength ( ) const
inline

Definition at line 90 of file filter_clashes.hh.

UniqueAtomIdentifier GetFirstAtom ( ) const
inline

Definition at line 88 of file filter_clashes.hh.

UniqueAtomIdentifier GetSecondAtom ( ) const
inline

Definition at line 89 of file filter_clashes.hh.


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