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use true/false instead of 1/0 detected and changed by clang-tidy

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This commit is contained in:
Axel Kohlmeyer
2021-10-20 12:41:02 -04:00
parent 84666543d1
commit 85433e8bd1
65 changed files with 130 additions and 130 deletions
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30
src/ML-RANN/pair_rann.cpp
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@ -440,7 +440,7 @@ void PairRANN::read_mass(const std::vector<std::string> &line1, const std::vecto
if (nelements == -1)error->one(filename,linenum-1,"atom types must be defined before mass in potential file.");
for (int i=0;i<nelements;i++) {
if (line1[1].compare(elements[i])==0) {
mass[i]=utils::numeric(filename,linenum,line2[0].c_str(),1,lmp);
mass[i]=utils::numeric(filename,linenum,line2[0].c_str(),true,lmp);
return;
}
}
@ -452,7 +452,7 @@ void PairRANN::read_fpe(std::vector<std::string> line,std::vector<std::string> l
if (nelements == -1)error->one(filename,linenum-1,"atom types must be defined before fingerprints per element in potential file.");
for (i=0;i<nelementsp;i++) {
if (line[1].compare(elementsp[i])==0) {
fingerprintperelement[i] = utils::inumeric(filename,linenum,line1[0].c_str(),1,lmp);
fingerprintperelement[i] = utils::inumeric(filename,linenum,line1[0].c_str(),true,lmp);
fingerprints[i] = new RANN::Fingerprint *[fingerprintperelement[i]];
for (int j=0;j<fingerprintperelement[i];j++) {
fingerprints[i][j]=new RANN::Fingerprint(this);
@ -491,7 +491,7 @@ void PairRANN::read_fingerprints(std::vector<std::string> line,std::vector<std::
fingerprints[i][i1] = create_fingerprint(line1[k].c_str());
if (fingerprints[i][i1]->n_body_type!=nwords-1) {error->one(filename,linenum,"invalid fingerprint for element combination");}
k++;
fingerprints[i][i1]->init(atomtypes,utils::inumeric(filename,linenum,line1[k++].c_str(),1,lmp));
fingerprints[i][i1]->init(atomtypes,utils::inumeric(filename,linenum,line1[k++].c_str(),true,lmp));
fingerprintcount[i]++;
}
delete[] atomtypes;
@ -523,7 +523,7 @@ void PairRANN::read_fingerprint_constants(std::vector<std::string> line,std::vec
for (j=0;j<n_body_type;j++) {
if (fingerprints[i][k]->atomtypes[j]!=atomtypes[j]) {break;}
if (j==n_body_type-1) {
if (line[nwords-3].compare(fingerprints[i][k]->style)==0 && utils::inumeric(filename,linenum,line[nwords-2].c_str(),1,lmp)==fingerprints[i][k]->id) {
if (line[nwords-3].compare(fingerprints[i][k]->style)==0 && utils::inumeric(filename,linenum,line[nwords-2].c_str(),true,lmp)==fingerprints[i][k]->id) {
found=true;
i1 = k;
break;
@ -542,7 +542,7 @@ void PairRANN::read_network_layers(std::vector<std::string> line,std::vector<std
if (nelements == -1)error->one(filename,linenum-1,"atom types must be defined before network layers in potential file.");
for (i=0;i<nelements;i++) {
if (line[1].compare(elements[i])==0) {
net[i].layers = utils::inumeric(filename,linenum,line1[0].c_str(),1,lmp);
net[i].layers = utils::inumeric(filename,linenum,line1[0].c_str(),true,lmp);
if (net[i].layers < 1)error->one(filename,linenum,"invalid number of network layers");
delete[] net[i].dimensions;
weightdefined[i] = new bool [net[i].layers];
@ -570,9 +570,9 @@ void PairRANN::read_layer_size(std::vector<std::string> line,std::vector<std::st
for (i=0;i<nelements;i++) {
if (line[1].compare(elements[i])==0) {
if (net[i].layers==0)error->one(filename,linenum-1,"networklayers for each atom type must be defined before the corresponding layer sizes.");
int j = utils::inumeric(filename,linenum,line[2].c_str(),1,lmp);
int j = utils::inumeric(filename,linenum,line[2].c_str(),true,lmp);
if (j>=net[i].layers || j<0) {error->one(filename,linenum,"invalid layer in layer size definition");};
net[i].dimensions[j]= utils::inumeric(filename,linenum,line1[0].c_str(),1,lmp);
net[i].dimensions[j]= utils::inumeric(filename,linenum,line1[0].c_str(),true,lmp);
return;
}
}
@ -587,7 +587,7 @@ void PairRANN::read_weight(std::vector<std::string> line,std::vector<std::string
for (l=0;l<nelements;l++) {
if (line[1].compare(elements[l])==0) {
if (net[l].layers==0)error->one(filename,*linenum-1,"networklayers must be defined before weights.");
i=utils::inumeric(filename,*linenum,line[2].c_str(),1,lmp);
i=utils::inumeric(filename,*linenum,line[2].c_str(),true,lmp);
if (i>=net[l].layers || i<0)error->one(filename,*linenum-1,"invalid weight layer");
if (net[l].dimensions[i]==0 || net[l].dimensions[i+1]==0) error->one(filename,*linenum-1,"network layer sizes must be defined before corresponding weight");
net[l].Weights[i] = new double[net[l].dimensions[i]*net[l].dimensions[i+1]];
@ -595,7 +595,7 @@ void PairRANN::read_weight(std::vector<std::string> line,std::vector<std::string
nwords = line1.size();
if (nwords != net[l].dimensions[i])error->one(filename,*linenum,"invalid weights per line");
for (k=0;k<net[l].dimensions[i];k++) {
net[l].Weights[i][k] = utils::numeric(filename,*linenum,line1[k].c_str(),1,lmp);
net[l].Weights[i][k] = utils::numeric(filename,*linenum,line1[k].c_str(),true,lmp);
}
for (j=1;j<net[l].dimensions[i+1];j++) {
ptr = fgets(linetemp,longline,fp);
@ -606,7 +606,7 @@ void PairRANN::read_weight(std::vector<std::string> line,std::vector<std::string
nwords = line1.size();
if (nwords != net[l].dimensions[i])error->one(filename,*linenum,"invalid weights per line");
for (k=0;k<net[l].dimensions[i];k++) {
net[l].Weights[i][j*net[l].dimensions[i]+k] = utils::numeric(filename,*linenum,line1[k].c_str(),1,lmp);
net[l].Weights[i][j*net[l].dimensions[i]+k] = utils::numeric(filename,*linenum,line1[k].c_str(),true,lmp);
}
}
return;
@ -621,19 +621,19 @@ void PairRANN::read_bias(std::vector<std::string> line,std::vector<std::string>
for (l=0;l<nelements;l++) {
if (line[1].compare(elements[l])==0) {
if (net[l].layers==0)error->one(filename,*linenum-1,"networklayers must be defined before biases.");
i=utils::inumeric(filename,*linenum,line[2].c_str(),1,lmp);
i=utils::inumeric(filename,*linenum,line[2].c_str(),true,lmp);
if (i>=net[l].layers || i<0)error->one(filename,*linenum-1,"invalid bias layer");
if (net[l].dimensions[i]==0) error->one(filename,*linenum-1,"network layer sizes must be defined before corresponding bias");
biasdefined[l][i] = true;
net[l].Biases[i] = new double[net[l].dimensions[i+1]];
net[l].Biases[i][0] = utils::numeric(filename,*linenum,line1[0].c_str(),1,lmp);
net[l].Biases[i][0] = utils::numeric(filename,*linenum,line1[0].c_str(),true,lmp);
for (j=1;j<net[l].dimensions[i+1];j++) {
ptr=fgets(linetemp,MAXLINE,fp);
if (ptr==nullptr)error->one(filename,*linenum,"unexpected end of potential file!");
(*linenum)++;
Tokenizer values1 = Tokenizer(linetemp,": ,\t_\n");
line1 = values1.as_vector();
net[l].Biases[i][j] = utils::numeric(filename,*linenum,line1[0].c_str(),1,lmp);
net[l].Biases[i][j] = utils::numeric(filename,*linenum,line1[0].c_str(),true,lmp);
}
return;
}
@ -680,10 +680,10 @@ void PairRANN::read_screening(std::vector<std::string> line,std::vector<std::str
k = atomtypes[2];
int index = i*nelements*nelements+j*nelements+k;
if (line[4].compare("Cmin")==0) {
screening_min[index] = utils::numeric(filename,linenum,line1[0].c_str(),1,lmp);
screening_min[index] = utils::numeric(filename,linenum,line1[0].c_str(),true,lmp);
}
else if (line[4].compare("Cmax")==0) {
screening_max[index] = utils::numeric(filename,linenum,line1[0].c_str(),1,lmp);
screening_max[index] = utils::numeric(filename,linenum,line1[0].c_str(),true,lmp);
}
else error->one(filename,linenum-1,"unrecognized screening keyword");
delete[] atomtypes;