void importModel(ParticleModel *model, const embree::FileName &fileName)
{
FILE *file = fopen(fileName.c_str(),"r");
if (!file)
throw std::runtime_error("could not open input file "+fileName.str());
int numAtoms;
// int rc = sscanf(line,"%i",&numAtoms);
int rc = fscanf(file,"%i\n",&numAtoms);
PRINT(numAtoms);
if (rc != 1) {
cout << "could not parse .dat.xyz header in input file " << fileName.str() << endl;
cout << "trying to parse without header..." << endl;
fclose(file);
importModelNoHeader(model,fileName);
return;
}
char line[10000];
fgets(line,10000,file); // description line
std::cout << "#" << fileName << " (.dat.xyz format): expecting " << numAtoms << " atoms" << std::endl;
for (int i=0;i<numAtoms;i++) {
char atomName[110];
vec3f p;
vec3f n;
if (!fgets(line,10000,file)) {
std::stringstream ss;
ss << "in " << fileName << " (line " << (i+2) << "): "
<< "unexpected end of file!?" << std::endl;
throw std::runtime_error(ss.str());
}
rc = sscanf(line,"%100s %f %f %f %f %f %f\n",atomName,
&p.x,&p.y,&p.z,
&n.x,&n.y,&n.z
);
// rc = fscanf(file,"%100s %f %f %f %f %f %f\n",atomName,
// &a.position.x,&a.position.y,&a.position.z,
// &n.x,&n.y,&n.z
// );
if (rc != 7 && rc != 4) {
std::stringstream ss;
PRINT(rc);
PRINT(line);
ss << "in " << fileName << " (line " << (i+2) << "): "
<< "could not parse .dat.xyz data line" << std::endl;
throw std::runtime_error(ss.str());
}
int32 type = model->getAtomTypeID(atomName);
model->type.push_back(type);
model->position.push_back(p);
}
}
void importModelNoHeader(ParticleModel *model, const embree::FileName &fileName)
{
int rc;
FILE *file = fopen(fileName.c_str(),"r");
if (!file)
throw std::runtime_error("could not open input file "+fileName.str());
char line[10000];
fgets(line,10000,file); // description line
int i = 0;
while (fgets(line,10000,file) && !feof(file)) {
++i;
char atomName[110];
vec3f p;
vec3f n;
rc = sscanf(line,"%100s %f %f %f %f %f %f\n",atomName,
&p.x,&p.y,&p.z,
&n.x,&n.y,&n.z
);
if (rc != 7 && rc != 4) {
std::stringstream ss;
ss << "in " << fileName << " (line " << (i+2) << "): "
<< "could not parse .dat.xyz data line" << std::endl;
throw std::runtime_error(ss.str());
}
int32 type = model->getAtomTypeID(atomName);
model->type.push_back(type);
model->position.push_back(p);
}
}