OpenStructure
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#include <filter_clashes.hh>
Public Member Functions | |
StereoChemicalAngleViolation () | |
StereoChemicalAngleViolation (const UniqueAtomIdentifier &atom1, const UniqueAtomIdentifier &atom2, const UniqueAtomIdentifier &atom3, Real mdl_value, std::pair< Real, Real > allowed_range) | |
UniqueAtomIdentifier | GetFirstAtom () const |
UniqueAtomIdentifier | GetSecondAtom () const |
UniqueAtomIdentifier | GetThirdAtom () const |
Real | GetAngleWidth () const |
std::pair< Real, Real > | GetAllowedRange () const |
Definition at line 99 of file filter_clashes.hh.
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inline |
Definition at line 102 of file filter_clashes.hh.
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Definition at line 104 of file filter_clashes.hh.
Definition at line 113 of file filter_clashes.hh.
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Definition at line 112 of file filter_clashes.hh.
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Definition at line 109 of file filter_clashes.hh.
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Definition at line 110 of file filter_clashes.hh.
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Definition at line 111 of file filter_clashes.hh.