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AtomSigInfo Struct Reference

List of all members.

Public Member Functions

 AtomSigInfo ()
 AtomSigInfo (const AtomSigInfo &sig)
 ~AtomSigInfo ()
void sortTupleSigIndices ()

Public Attributes

vector< short > bondSigIndices
vector< short > angleSigIndices
vector< short > dihedralSigIndices
vector< short > improperSigIndices
vector< short > crosstermSigIndices

Constructor & Destructor Documentation

AtomSigInfo::AtomSigInfo (   )  [inline]
 

Definition at line 58 of file CompressPsf.C.

00059     {}

AtomSigInfo::AtomSigInfo (  const AtomSigInfo &  sig  )  [inline]
 

Definition at line 60 of file CompressPsf.C.

References angleSigIndices, bondSigIndices, crosstermSigIndices, dihedralSigIndices, and improperSigIndices.

00061     {
00062         bondSigIndices.clear();
00063         for(int i=0; i<sig.bondSigIndices.size(); i++)
00064             bondSigIndices.push_back(sig.bondSigIndices[i]);
00065 
00066         angleSigIndices.clear();
00067         for(int i=0; i<sig.angleSigIndices.size(); i++)
00068             angleSigIndices.push_back(sig.angleSigIndices[i]);
00069 
00070         dihedralSigIndices.clear();
00071         for(int i=0; i<sig.dihedralSigIndices.size(); i++)
00072             dihedralSigIndices.push_back(sig.dihedralSigIndices[i]);
00073 
00074         improperSigIndices.clear();
00075         for(int i=0; i<sig.improperSigIndices.size(); i++)
00076             improperSigIndices.push_back(sig.improperSigIndices[i]);
00077 
00078         crosstermSigIndices.clear();
00079         for(int i=0; i<sig.crosstermSigIndices.size(); i++)
00080             crosstermSigIndices.push_back(sig.crosstermSigIndices[i]);
00081     }

AtomSigInfo::~AtomSigInfo (   )  [inline]
 

Definition at line 83 of file CompressPsf.C.

00084     {
00085         bondSigIndices.clear();
00086         angleSigIndices.clear();
00087         dihedralSigIndices.clear();
00088         improperSigIndices.clear();
00089         crosstermSigIndices.clear();
00090     }

Member Function Documentation

void AtomSigInfo::sortTupleSigIndices (   )  [inline]
 

Definition at line 92 of file CompressPsf.C.

Referenced by integrateAllAtomSigs().

00093     {
00094         sort(bondSigIndices.begin(), bondSigIndices.end());
00095         sort(angleSigIndices.begin(), angleSigIndices.end());
00096         sort(dihedralSigIndices.begin(), dihedralSigIndices.end());
00097         sort(improperSigIndices.begin(), improperSigIndices.end());
00098         sort(crosstermSigIndices.begin(), crosstermSigIndices.end());
00099     }

Member Data Documentation

vector<short> AtomSigInfo::angleSigIndices
 

Definition at line 53 of file CompressPsf.C.

Referenced by AtomSigInfo(), getAngleData(), operator==(), and outputPsfFile().

vector<short> AtomSigInfo::bondSigIndices
 

Definition at line 52 of file CompressPsf.C.

Referenced by AtomSigInfo(), buildExclusions(), getBondData(), operator==(), and outputPsfFile().

vector<short> AtomSigInfo::crosstermSigIndices
 

Definition at line 56 of file CompressPsf.C.

Referenced by AtomSigInfo(), getCrosstermData(), operator==(), and outputPsfFile().

vector<short> AtomSigInfo::dihedralSigIndices
 

Definition at line 54 of file CompressPsf.C.

Referenced by AtomSigInfo(), getDihedralData(), operator==(), and outputPsfFile().

vector<short> AtomSigInfo::improperSigIndices
 

Definition at line 55 of file CompressPsf.C.

Referenced by AtomSigInfo(), getImproperData(), operator==(), and outputPsfFile().

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