"Fossies" - the Fresh Open Source Software Archive  

Source code changes of the file "layer2/MolV3000.cpp" between
pymol-open-source-2.2.0.tar.gz and pymol-open-source-2.3.0.tar.gz

About: PyMOL is a Python-enhanced molecular graphics tool. It excels at 3D visualization of proteins, small molecules, density, surfaces, and trajectories. It also includes molecular editing, ray tracing, and movies. Open Source version.

MolV3000.cpp  (pymol-open-source-2.2.0):MolV3000.cpp  (pymol-open-source-2.3.0)
skipping to change at line 127 skipping to change at line 127
BondType *& bond, BondType *& bond,
float *& coord, float *& coord,
int & nAtom, int & nAtom,
int & nBond) int & nBond)
{ {
char cc[16]; // buffer for short words like "BEGIN" or "COUNTS" char cc[16]; // buffer for short words like "BEGIN" or "COUNTS"
bool inside_atom = false; bool inside_atom = false;
bool inside_bond = false; bool inside_bond = false;
bool inside_any = false; bool inside_any = false;
int auto_show = RepGetAutoShowMask(G); int auto_show = RepGetAutoShowMask(G);
const char * error = NULL; const char * error = nullptr;
AtomInfoType * ai = NULL; AtomInfoType * ai = nullptr;
std::string line; std::string line;
std::string key, value; std::string key, value;
while (MOLV3000ReadLine(buffer, line)) { while (MOLV3000ReadLine(buffer, line)) {
auto p = line.c_str(); auto p = line.c_str();
// save position after "V30" // save position after "V30"
auto p_data = p; auto p_data = p;
p = ParseWordCopy(cc, p, sizeof(cc)); p = ParseWordCopy(cc, p, sizeof(cc));
skipping to change at line 257 skipping to change at line 257
} }
} }
if (!error && (inside_atom || inside_bond)) { if (!error && (inside_atom || inside_bond)) {
error = "expected 'M V30'"; error = "expected 'M V30'";
} }
if (error) { if (error) {
PRINTFB(G, FB_ObjectMolecule, FB_Errors) PRINTFB(G, FB_ObjectMolecule, FB_Errors)
" MOL-V3000-Error: %s.\n", error ENDFB(G); " MOL-V3000-Error: %s.\n", error ENDFB(G);
return NULL; return nullptr;
} }
return buffer; return buffer;
} }
 End of changes. 2 change blocks. 
3 lines changed or deleted 3 lines changed or added

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