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DISCONTINUED:openSUSE:11.1:Update
openbabel
build-checks.diff
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File build-checks.diff of Package openbabel
--- src/forcefield.cpp +++ src/forcefield.cpp @@ -1240,7 +1240,7 @@ namespace OpenBabel bool OBForceField::SystematicRotorSearchNextConformer(unsigned int geomSteps) { - char _logbuf[100]; + char _logbuf[BUFF_SIZE]; if (_current_conformer >= _mol.NumConformers()) { // done // Select conformer with lowest energy @@ -1355,7 +1355,7 @@ namespace OpenBabel bool OBForceField::RandomRotorSearchNextConformer(unsigned int geomSteps) { - char _logbuf[100]; + char _logbuf[BUFF_SIZE]; if (_current_conformer >= _mol.NumConformers()) { // done // Select conformer with lowest energy @@ -1888,7 +1888,7 @@ namespace OpenBabel // output result of triangle smoothing IF_OBFF_LOGLVL_LOW { - char _logbuf[100]; + char _logbuf[BUFF_SIZE]; OBFFLog("RANDOM DISTANCE MATRIX BETWEEN LIMITS\n\n"); for (i=0; i<N; i++) { @@ -1912,7 +1912,7 @@ namespace OpenBabel // output metric matrix IF_OBFF_LOGLVL_LOW { - char _logbuf[100]; + char _logbuf[BUFF_SIZE]; OBFFLog("METRIC MATRIX\n\n"); for (i=0; i<N; i++) { @@ -2403,7 +2403,7 @@ namespace OpenBabel OBAtom *atom = new OBAtom; vector3 grad; double e_n1, e_n2; - char _logbuf[100]; + char _logbuf[BUFF_SIZE]; atom->SetVector(9.0, 9.0, 0.0); e_n1 = atom->x() * atom->x() + 2 * (atom->y() * atom->y()); @@ -2447,7 +2447,7 @@ namespace OpenBabel double e_n1, e_n2; double g2g2, g1g1, g2g1; bool firststep; - char _logbuf[100]; + char _logbuf[BUFF_SIZE]; firststep = true; atom->SetVector(9.0, 9.0, 0.0); --- src/forcefields/forcefieldmmff94.cpp +++ src/forcefields/forcefieldmmff94.cpp @@ -3853,7 +3853,7 @@ namespace OpenBabel vector<int> types; vector<double> fcharges, pcharges; vector<double> bond_lengths; - char buffer[150], _logbuf[100]; + char buffer[150], _logbuf[BUFF_SIZE]; bool molfound, atomfound, bondfound, fchgfound, pchgfound; double etot, ebond, eangle, eoop, estbn, etor, evdw, eeq; double termcount; //1=bond, 2=angle, 3=strbnd, 4=torsion, 5=oop --- src/formats/chemkinformat.cpp +++ src/formats/chemkinformat.cpp @@ -627,8 +627,10 @@ bool ChemKinFormat::ReadReactionQualifierLines(istream& ifs, OBReaction* pReact) { //not "END". Has an even number of tokens. //3-body efficiencies - for(int i=0;i<toks.size()-1;++i)//also incremented in body to retrieve id,val pairs - pRD->SetEfficiency(toks[i++], atof(toks[i].c_str())); + for(int i=0;i<toks.size()-1;) { + pRD->SetEfficiency(toks[i], atof(toks[i+1].c_str())); + i += 2; + } } } return ifs!=NULL;
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