#include <filter_clashes.hh>
Public Member Functions | |
StereoChemistryInfo () | |
StereoChemistryInfo (Real avg_zscore_bonds, int bad_bond_count, int bond_count, Real avg_zscore_angles, int bad_angle_count, int angle_count, const std::map< String, BondLengthInfo > &avg_bond_length_info, const std::vector< StereoChemicalBondViolation > &bond_violation_list, const std::vector< StereoChemicalAngleViolation > &angle_violation_list) | |
Real | GetAvgZscoreBonds () const |
int | GetBadBondCount () const |
int | GetBondCount () const |
Real | GetAvgZscoreAngles () const |
int | GetBadAngleCount () const |
int | GetAngleCount () const |
std::map< String, BondLengthInfo > | GetAvgBondLengthInfo () |
std::vector < StereoChemicalBondViolation > | GetBondViolationList () |
std::vector < StereoChemicalAngleViolation > | GetAngleViolationList () |
Definition at line 122 of file filter_clashes.hh.
StereoChemistryInfo | ( | ) | [inline] |
Definition at line 125 of file filter_clashes.hh.
StereoChemistryInfo | ( | Real | avg_zscore_bonds, | |
int | bad_bond_count, | |||
int | bond_count, | |||
Real | avg_zscore_angles, | |||
int | bad_angle_count, | |||
int | angle_count, | |||
const std::map< String, BondLengthInfo > & | avg_bond_length_info, | |||
const std::vector< StereoChemicalBondViolation > & | bond_violation_list, | |||
const std::vector< StereoChemicalAngleViolation > & | angle_violation_list | |||
) | [inline] |
Definition at line 135 of file filter_clashes.hh.
int GetAngleCount | ( | ) | const [inline] |
Definition at line 154 of file filter_clashes.hh.
std::vector<StereoChemicalAngleViolation> GetAngleViolationList | ( | ) | [inline] |
Definition at line 157 of file filter_clashes.hh.
std::map<String,BondLengthInfo> GetAvgBondLengthInfo | ( | ) | [inline] |
Definition at line 155 of file filter_clashes.hh.
Real GetAvgZscoreAngles | ( | ) | const [inline] |
Definition at line 152 of file filter_clashes.hh.
Real GetAvgZscoreBonds | ( | ) | const [inline] |
Definition at line 149 of file filter_clashes.hh.
int GetBadAngleCount | ( | ) | const [inline] |
Definition at line 153 of file filter_clashes.hh.
int GetBadBondCount | ( | ) | const [inline] |
Definition at line 150 of file filter_clashes.hh.
int GetBondCount | ( | ) | const [inline] |
Definition at line 151 of file filter_clashes.hh.
std::vector<StereoChemicalBondViolation> GetBondViolationList | ( | ) | [inline] |
Definition at line 156 of file filter_clashes.hh.