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Commit e19c3992 authored by Carlo Camilloni's avatar Carlo Camilloni
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analysis: plumed_merror -> error

parent f16daf7f
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......@@ -106,15 +106,15 @@ fmt("%f")
log.printf(" with format %s\n",fmt.c_str());
for(unsigned i=0;i<getNumberOfArguments();++i) ofile.setupPrintValue( getPntrToArgument(i) );
parseVector("BASIN_A_LOWER",amin);
if(amin.size()!=getNumberOfArguments()) plumed_merror("Wrong number of values for BASIN_A_LOWER: they should be equal to the number of arguments");
if(amin.size()!=getNumberOfArguments()) error("Wrong number of values for BASIN_A_LOWER: they should be equal to the number of arguments");
parseVector("BASIN_A_UPPER",amax);
if(amax.size()!=getNumberOfArguments()) plumed_merror("Wrong number of values for BASIN_A_UPPER: they should be equal to the number of arguments");
if(amax.size()!=getNumberOfArguments()) error("Wrong number of values for BASIN_A_UPPER: they should be equal to the number of arguments");
parseVector("BASIN_B_LOWER",bmin);
if(bmin.size()!=getNumberOfArguments()) plumed_merror("Wrong number of values for BASIN_B_LOWER: they should be equal to the number of arguments");
if(bmin.size()!=getNumberOfArguments()) error("Wrong number of values for BASIN_B_LOWER: they should be equal to the number of arguments");
parseVector("BASIN_B_UPPER",bmax);
if(bmax.size()!=getNumberOfArguments()) plumed_merror("Wrong number of values for BASIN_B_UPPER: they should be equal to the number of arguments");
if(bmax.size()!=getNumberOfArguments()) error("Wrong number of values for BASIN_B_UPPER: they should be equal to the number of arguments");
checkRead();
if(bmin>bmax||amin>amax) plumed_merror("COMMITTOR: UPPER bounds must always be greater than LOWER bounds");
if(bmin>bmax||amin>amax) error("COMMITTOR: UPPER bounds must always be greater than LOWER bounds");
log.printf(" BASIN A definition\n");
for(unsigned i=0;i<amin.size();++i) log.printf(" %lf - %lf\n", amin[i], amax[i]);
......
......@@ -146,16 +146,16 @@ fenergy(false)
{
// Read stuff for Grid
parseVector("GRID_MIN",gmin);
if(gmin.size()!=getNumberOfArguments()) plumed_merror("Wrong number of values for GRID_MIN: they should be equal to the number of arguments");
if(gmin.size()!=getNumberOfArguments()) error("Wrong number of values for GRID_MIN: they should be equal to the number of arguments");
parseVector("GRID_MAX",gmax);
if(gmax.size()!=getNumberOfArguments()) plumed_merror("Wrong number of values for GRID_MAX: they should be equal to the number of arguments");
if(gmax.size()!=getNumberOfArguments()) error("Wrong number of values for GRID_MAX: they should be equal to the number of arguments");
parseVector("GRID_BIN",gbin);
if(gbin.size()!=getNumberOfArguments() && gbin.size()!=0) plumed_merror("Wrong number of values for GRID_BIN: they should be equal to the number of arguments");
if(gbin.size()!=getNumberOfArguments() && gbin.size()!=0) error("Wrong number of values for GRID_BIN: they should be equal to the number of arguments");
std::vector<double> gspacing;
parseVector("GRID_SPACING",gspacing);
if(gspacing.size()!=getNumberOfArguments() && gspacing.size()!=0)
plumed_merror("Wrong number of for GRID_SPACING: they should be equal to the number of arguments");
if(gbin.size()==0 && gspacing.size()==0) { plumed_merror("At least one among GRID_BIN and GRID_SPACING should be used");
error("Wrong number of for GRID_SPACING: they should be equal to the number of arguments");
if(gbin.size()==0 && gspacing.size()==0) { error("At least one among GRID_BIN and GRID_SPACING should be used");
} else if(gspacing.size()!=0 && gbin.size()==0) {
log<<" The number of bins will be estimated from GRID_SPACING\n";
} else if(gspacing.size()!=0 && gbin.size()!=0) {
......@@ -178,10 +178,10 @@ fenergy(false)
// Read stuff for window functions
parseVector("BANDWIDTH",bw);
if(bw.size()!=getNumberOfArguments()&&kerneltype!="discrete")
plumed_merror("Wrong number of values for BANDWIDTH: they should be equal to the number of arguments");
error("Wrong number of values for BANDWIDTH: they should be equal to the number of arguments");
parseFlag("FREE-ENERGY",fenergy);
if(getTemp()<=0&&fenergy) plumed_merror("Set the temperature (TEMP) if you want a free energy.");
if(getTemp()<=0&&fenergy) error("Set the temperature (TEMP) if you want a free energy.");
checkRead();
log.printf(" Using %s kernel functions\n",kerneltype.c_str() );
......
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