#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.
1.6.1
