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;