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update formatting style to be more consistent

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This commit is contained in:
Axel Kohlmeyer
2020-09-21 01:58:27 -04:00
parent 0a11cc5eb9
commit 29a7d598ac
53 changed files with 108 additions and 108 deletions
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4
src/COMPRESS/dump_atom_zstd.cpp
View File

@ -98,7 +98,7 @@ void DumpAtomZstd::openfile()
try {
writer.open(filecurrent);
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}
@ -185,7 +185,7 @@ int DumpAtomZstd::modify_param(int narg, char **arg)
writer.setCompressionLevel(compression_level);
return 2;
}
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}

4
src/COMPRESS/dump_cfg_zstd.cpp
View File

@ -101,7 +101,7 @@ void DumpCFGZstd::openfile()
try {
writer.open(filecurrent);
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}
@ -187,7 +187,7 @@ int DumpCFGZstd::modify_param(int narg, char **arg)
writer.setCompressionLevel(compression_level);
return 2;
}
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}

4
src/COMPRESS/dump_custom_zstd.cpp
View File

@ -98,7 +98,7 @@ void DumpCustomZstd::openfile()
try {
writer.open(filecurrent);
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}
@ -185,7 +185,7 @@ int DumpCustomZstd::modify_param(int narg, char **arg)
writer.setCompressionLevel(compression_level);
return 2;
}
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}

4
src/COMPRESS/dump_local_zstd.cpp
View File

@ -100,7 +100,7 @@ void DumpLocalZstd::openfile()
try {
writer.open(filecurrent);
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}
@ -185,7 +185,7 @@ int DumpLocalZstd::modify_param(int narg, char **arg)
writer.setCompressionLevel(compression_level);
return 2;
}
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}

4
src/COMPRESS/dump_xyz_zstd.cpp
View File

@ -98,7 +98,7 @@ void DumpXYZZstd::openfile()
try {
writer.open(filecurrent);
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}
@ -159,7 +159,7 @@ int DumpXYZZstd::modify_param(int narg, char **arg)
writer.setCompressionLevel(compression_level);
return 2;
}
} catch (FileWriterException & e) {
} catch (FileWriterException &e) {
error->one(FLERR, e.what());
}
}

2
src/COMPRESS/zstd_file_writer.cpp
View File

@ -46,7 +46,7 @@ ZstdFileWriter::~ZstdFileWriter()
/* ---------------------------------------------------------------------- */
void ZstdFileWriter::open(const std::string & path)
void ZstdFileWriter::open(const std::string &path)
{
if(isopen()) return;

2
src/COMPRESS/zstd_file_writer.h
View File

@ -38,7 +38,7 @@ class ZstdFileWriter : public FileWriter {
public:
ZstdFileWriter();
virtual ~ZstdFileWriter();
virtual void open(const std::string & path) override;
virtual void open(const std::string &path) override;
virtual void close() override;
virtual void flush() override;
virtual size_t write(const void * buffer, size_t length) override;

2
src/GPU/pair_eam_alloy_gpu.cpp
View File

@ -438,7 +438,7 @@ void PairEAMAlloyGPU::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/GPU/pair_eam_fs_gpu.cpp
View File

@ -441,7 +441,7 @@ void PairEAMFSGPU::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

4
src/KIM/kim_query.cpp
View File

@ -338,8 +338,8 @@ char *do_query(char *qfunction, char * model_name, int narg, char **arg,
/* ---------------------------------------------------------------------- */
void KimQuery::echo_var_assign(const std::string & name,
const std::string & value) const
void KimQuery::echo_var_assign(const std::string &name,
const std::string &value) const
{
input->write_echo(fmt::format("variable {} string {}\n",name,value));
}

2
src/KOKKOS/pair_eam_alloy_kokkos.cpp
View File

@ -1052,7 +1052,7 @@ void PairEAMAlloyKokkos<DeviceType>::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/KOKKOS/pair_eam_fs_kokkos.cpp
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@ -1055,7 +1055,7 @@ void PairEAMFSKokkos<DeviceType>::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/MANYBODY/pair_adp.cpp
View File

@ -610,7 +610,7 @@ void PairADP::read_file(char *filename)
reader.next_dvector(&file->w2r[i][j][1], file->nr);
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

4
src/MANYBODY/pair_airebo.cpp
View File

@ -3634,12 +3634,12 @@ void PairAIREBO::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
std::string msg = fmt::format("ERROR reading {} section in {} file\n"
"REASON: {}\n",
current_section, potential_name, e.what());
error->one(FLERR, msg);
} catch (FileReaderException & fre) {
} catch (FileReaderException &fre) {
error->one(FLERR, fre.what());
std::string msg = fmt::format("ERROR reading {} section in {} file\n"
"REASON: {}\n",

4
src/MANYBODY/pair_bop.cpp
View File

@ -5223,9 +5223,9 @@ void _noopt PairBOP::read_table(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
} catch (FileReaderException & fre) {
} catch (FileReaderException &fre) {
error->one(FLERR, fre.what());
}
}

2
src/MANYBODY/pair_comb.cpp
View File

@ -679,7 +679,7 @@ void PairComb::read_file(char *file)
params[nparams].cml2 = values.next_double();
params[nparams].coulcut = values.next_double();
params[nparams].hfocor = values.next_double();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

6
src/MANYBODY/pair_comb3.cpp
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@ -450,9 +450,9 @@ void PairComb3::read_lib()
}
}
} catch (FileReaderException & fre) {
} catch (FileReaderException &fre) {
error->one(FLERR, fre.what());
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}
@ -640,7 +640,7 @@ void PairComb3::read_file(char *file)
params[nparams].addrep = values.next_double();
params[nparams].pcross = values.next_double();
params[nparams].powermint = int(params[nparams].powerm);
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/MANYBODY/pair_eam.cpp
View File

@ -506,7 +506,7 @@ void PairEAM::read_file(char *filename)
for (int j = 1; j <= file->nr; ++j)
file->zr[j] *= sqrt_conv;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/MANYBODY/pair_eam_alloy.cpp
View File

@ -184,7 +184,7 @@ void PairEAMAlloy::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/MANYBODY/pair_eam_fs.cpp
View File

@ -189,7 +189,7 @@ void PairEAMFS::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/MANYBODY/pair_eim.cpp
View File

@ -1071,7 +1071,7 @@ EIMPotentialFileReader::EIMPotentialFileReader(LAMMPS *lmp,
fclose(fp);
}
std::pair<std::string, std::string> EIMPotentialFileReader::get_pair(const std::string & a, const std::string & b) {
std::pair<std::string, std::string> EIMPotentialFileReader::get_pair(const std::string &a, const std::string &b) {
if (a < b) {
return std::make_pair(a, b);
}

2
src/MANYBODY/pair_gw.cpp
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@ -443,7 +443,7 @@ void PairGW::read_file(char *file)
params[nparams].biga *= conversion_factor;
params[nparams].bigb *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/MANYBODY/pair_gw_zbl.cpp
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@ -138,7 +138,7 @@ void PairGWZBL::read_file(char *file)
params[nparams].biga *= conversion_factor;
params[nparams].bigb *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/MANYBODY/pair_nb3b_harmonic.cpp
View File

@ -344,7 +344,7 @@ void PairNb3bHarmonic::read_file(char *file)
params[nparams].cutoff = values.next_double();
if (unit_convert) params[nparams].k_theta *= conversion_factor;
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

4
src/MANYBODY/pair_polymorphic.cpp
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@ -612,7 +612,7 @@ void PairPolymorphic::read_file(char *file)
if ((ng == 0) || (nr == 0) || (nx == 0))
error->one(FLERR,"Error reading potential file header");
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR,"Potential file incompatible with this pair style version");
}
@ -631,7 +631,7 @@ void PairPolymorphic::read_file(char *file)
p.cutsq = p.cut*p.cut;
p.xi = values.next_double();
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/MANYBODY/pair_sw.cpp
View File

@ -414,7 +414,7 @@ void PairSW::read_file(char *file)
params[nparams].powerp = values.next_double();
params[nparams].powerq = values.next_double();
params[nparams].tol = values.next_double();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/MANYBODY/pair_tersoff.cpp
View File

@ -466,7 +466,7 @@ void PairTersoff::read_file(char *file)
params[nparams].biga *= conversion_factor;
params[nparams].bigb *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/MANYBODY/pair_tersoff_mod.cpp
View File

@ -121,7 +121,7 @@ void PairTersoffMOD::read_file(char *file)
params[nparams].biga *= conversion_factor;
params[nparams].bigb *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/MANYBODY/pair_tersoff_mod_c.cpp
View File

@ -114,7 +114,7 @@ void PairTersoffMODC::read_file(char *file)
params[nparams].bigb *= conversion_factor;
params[nparams].c0 *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/MANYBODY/pair_tersoff_zbl.cpp
View File

@ -140,7 +140,7 @@ void PairTersoffZBL::read_file(char *file)
params[nparams].biga *= conversion_factor;
params[nparams].bigb *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/MANYBODY/pair_vashishta.cpp
View File

@ -432,7 +432,7 @@ void PairVashishta::read_file(char *file)
params[nparams].bigb *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

4
src/MOLECULE/angle_table.cpp
View File

@ -411,7 +411,7 @@ void AngleTable::read_table(Table *tb, char *file, char *keyword)
tb->afile[i] = values.next_double();
tb->efile[i] = values.next_double();
tb->ffile[i] = values.next_double();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
++cerror;
}
}
@ -526,7 +526,7 @@ void AngleTable::param_extract(Table *tb, char *line)
error->one(FLERR,"Invalid keyword in angle table parameters");
}
}
} catch(TokenizerException & e) {
} catch(TokenizerException &e) {
error->one(FLERR, e.what());
}

4
src/MOLECULE/bond_table.cpp
View File

@ -341,7 +341,7 @@ void BondTable::read_table(Table *tb, char *file, char *keyword)
tb->rfile[i] = values.next_double();
tb->efile[i] = values.next_double();
tb->ffile[i] = values.next_double();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
++cerror;
}
@ -491,7 +491,7 @@ void BondTable::param_extract(Table *tb, char *line)
error->one(FLERR,"Invalid keyword in bond table parameters");
}
}
} catch(TokenizerException & e) {
} catch(TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/USER-INTEL/pair_eam_alloy_intel.cpp
View File

@ -183,7 +183,7 @@ void PairEAMAlloyIntel::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/USER-INTEL/pair_eam_fs_intel.cpp
View File

@ -186,7 +186,7 @@ void PairEAMFSIntel::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

4
src/USER-MISC/dihedral_table.cpp
View File

@ -1091,7 +1091,7 @@ void DihedralTable::read_table(Table *tb, char *file, char *keyword)
tb->efile[i] = values.next_double();
tb->ffile[i] = values.next_double();
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
} //for (int i = 0; (i < tb->ninput) && fp; i++) {
@ -1316,7 +1316,7 @@ void DihedralTable::param_extract(Table *tb, char *line)
else error->one(FLERR,fmt::format("Invalid keyword in dihedral angle "
"table parameters ({})", word));
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/USER-MISC/pair_tersoff_table.cpp
View File

@ -923,7 +923,7 @@ void PairTersoffTable::read_file(char *file)
params[nparams].biga *= conversion_factor;
params[nparams].bigb *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

2
src/USER-OMP/pair_eam_alloy_omp.cpp
View File

@ -184,7 +184,7 @@ void PairEAMAlloyOMP::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/USER-OMP/pair_eam_fs_omp.cpp
View File

@ -187,7 +187,7 @@ void PairEAMFSOMP::read_file(char *filename)
}
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}
}

2
src/USER-OMP/pair_tersoff_zbl_omp.cpp
View File

@ -157,7 +157,7 @@ void PairTersoffZBLOMP::read_file(char *file)
params[nparams].biga *= conversion_factor;
params[nparams].bigb *= conversion_factor;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

4
src/file_writer.h
View File

@ -27,7 +27,7 @@ class FileWriter {
public:
FileWriter() = default;
virtual ~FileWriter() = default;
virtual void open(const std::string & path) = 0;
virtual void open(const std::string &path) = 0;
virtual void close() = 0;
virtual void flush() = 0;
virtual size_t write(const void * buffer, size_t length) = 0;
@ -37,7 +37,7 @@ public:
class FileWriterException : public std::exception {
std::string message;
public:
FileWriterException(const std::string & msg) : message(msg) {
FileWriterException(const std::string &msg) : message(msg) {
}
~FileWriterException() throw() {

4
src/info.h
View File

@ -35,8 +35,8 @@ class Info : protected Pointers {
bool is_defined(const char *, const char *);
bool is_available(const char *, const char *);
bool has_style(const std::string & category, const std::string & name);
std::vector<std::string> get_available_styles(const std::string & category);
bool has_style(const std::string &category, const std::string &name);
std::vector<std::string> get_available_styles(const std::string &category);
static bool has_gzip_support();
static bool has_png_support();

6
src/library.cpp
View File

@ -84,7 +84,7 @@ static void ptr_argument_warning()
try
#define END_CAPTURE \
catch(LAMMPSAbortException & ae) { \
catch(LAMMPSAbortException &ae) { \
int nprocs = 0; \
MPI_Comm_size(ae.universe, &nprocs ); \
\
@ -93,7 +93,7 @@ static void ptr_argument_warning()
} else { \
error->set_last_error(ae.message, ERROR_NORMAL); \
} \
} catch(LAMMPSException & e) { \
} catch(LAMMPSException &e) { \
error->set_last_error(e.message, ERROR_NORMAL); \
}
#else
@ -166,7 +166,7 @@ void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr)
lmp = new LAMMPS(argc, argv, comm);
if (ptr) *ptr = (void *) lmp;
}
catch(LAMMPSException & e) {
catch(LAMMPSException &e) {
fmt::print(stderr, "LAMMPS Exception: {}", e.message);
*ptr = nullptr;
}

36
src/molecule.cpp
View File

@ -492,7 +492,7 @@ void Molecule::read(int flag)
if (nmatch != nwant)
error->one(FLERR,"Invalid header in molecule file");
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid header in molecule file\n"
"{}", e.what()));
}
@ -688,7 +688,7 @@ void Molecule::coords(char *line)
x[i][1] *= sizescale;
x[i][2] *= sizescale;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Coords section in molecule file\n"
"{}", e.what()));
}
@ -718,7 +718,7 @@ void Molecule::types(char *line)
type[i] = values.next_int();
type[i] += toffset;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Types section in molecule file\n"
"{}", e.what()));
}
@ -748,7 +748,7 @@ void Molecule::molecules(char *line)
molecule[i] = values.next_int();
// molecule[i] += moffset; // placeholder for possible molecule offset
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Molecules section in molecule file\n"
"{}", e.what()));
}
@ -785,7 +785,7 @@ void Molecule::fragments(char *line)
fragmentmask[i][atomID-1] = 1;
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid atom ID in Fragments section of molecule file\n"
"{}", e.what()));
}
@ -807,7 +807,7 @@ void Molecule::charges(char *line)
values.next_int();
q[i] = values.next_double();
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Charges section in molecule file\n"
"{}", e.what()));
}
@ -833,7 +833,7 @@ void Molecule::diameters(char *line)
radius[i] *= 0.5;
maxradius = MAX(maxradius,radius[i]);
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Diameters section in molecule file\n"
"{}", e.what()));
}
@ -860,7 +860,7 @@ void Molecule::masses(char *line)
rmass[i] = values.next_double();
rmass[i] *= sizescale*sizescale*sizescale;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Masses section in molecule file\n"
"{}", e.what()));
}
@ -898,7 +898,7 @@ void Molecule::bonds(int flag, char *line)
itype = values.next_int();
atom1 = values.next_tagint();
atom2 = values.next_tagint();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Bonds section in molecule file\n"
"{}", e.what()));
}
@ -967,7 +967,7 @@ void Molecule::angles(int flag, char *line)
atom1 = values.next_tagint();
atom2 = values.next_tagint();
atom3 = values.next_tagint();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Angles section in molecule file\n"
"{}", e.what()));
}
@ -1052,7 +1052,7 @@ void Molecule::dihedrals(int flag, char *line)
atom2 = values.next_tagint();
atom3 = values.next_tagint();
atom4 = values.next_tagint();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Dihedrals section in molecule file\n"
"{}", e.what()));
}
@ -1152,7 +1152,7 @@ void Molecule::impropers(int flag, char *line)
atom2 = values.next_tagint();
atom3 = values.next_tagint();
atom4 = values.next_tagint();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Impropers section in molecule file\n"
"{}", e.what()));
}
@ -1244,7 +1244,7 @@ void Molecule::nspecial_read(int flag, char *line)
c1 = values.next_tagint();
c2 = values.next_tagint();
c3 = values.next_tagint();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Special Bond Counts section in molecule file\n"
"{}", e.what()));
}
@ -1283,7 +1283,7 @@ void Molecule::special_read(char *line)
error->one(FLERR,"Invalid special atom index in molecule file");
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Molecule file special list\n"
"{}", e.what()));
}
@ -1415,7 +1415,7 @@ void Molecule::shakeflag_read(char *line)
values.next_int();
shake_flag[i] = values.next_int();
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid Shake Flags section in molecule file\n"
"{}", e.what()));
}
@ -1480,7 +1480,7 @@ void Molecule::shakeatom_read(char *line)
error->one(FLERR,"Invalid shake atom in molecule file");
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR,fmt::format("Invalid shake atom in molecule file\n"
"{}", e.what()));
}
@ -1545,7 +1545,7 @@ void Molecule::shaketype_read(char *line)
if (nmatch != nwant)
error->one(FLERR,"Invalid shake type data in molecule file");
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid shake type data in molecule file\n",
"{}", e.what()));
}
@ -1598,7 +1598,7 @@ void Molecule::body(int flag, int pflag, char *line)
}
} else nword += ncount;
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, fmt::format("Invalid body params in molecule file\n",
"{}", e.what()));
}

2
src/pair_coul_streitz.cpp
View File

@ -280,7 +280,7 @@ void PairCoulStreitz::read_file(char *file)
params[nparams].zeta = values.next_double();
params[nparams].zcore = values.next_double();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

4
src/pair_table.cpp
View File

@ -402,7 +402,7 @@ void PairTable::read_table(Table *tb, char *file, char *keyword)
rfile = values.next_double();
tb->efile[i] = conversion_factor * values.next_double();
tb->ffile[i] = conversion_factor * values.next_double();
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
++cerror;
}
@ -571,7 +571,7 @@ void PairTable::param_extract(Table *tb, char *line)
error->one(FLERR,fmt::format("Invalid keyword {} in pair table parameters", word).c_str());
}
}
} catch (TokenizerException & e) {
} catch (TokenizerException &e) {
error->one(FLERR, e.what());
}

22
src/potential_file_reader.cpp
View File

@ -61,7 +61,7 @@ PotentialFileReader::PotentialFileReader(LAMMPS *lmp,
if(!reader) {
error->one(FLERR, fmt::format("cannot open {} potential file {}", potential_name, filename));
}
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
}
@ -84,7 +84,7 @@ void PotentialFileReader::ignore_comments(bool value) {
void PotentialFileReader::skip_line() {
try {
reader->skip_line();
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
}
@ -103,7 +103,7 @@ void PotentialFileReader::skip_line() {
char *PotentialFileReader::next_line(int nparams) {
try {
return reader->next_line(nparams);
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
return nullptr;
@ -121,7 +121,7 @@ char *PotentialFileReader::next_line(int nparams) {
void PotentialFileReader::next_dvector(double * list, int n) {
try {
return reader->next_dvector(list, n);
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
}
@ -136,10 +136,10 @@ void PotentialFileReader::next_dvector(double * list, int n) {
* \param separators String with list of separators.
* \return ValueTokenizer object for read in text */
ValueTokenizer PotentialFileReader::next_values(int nparams, const std::string & separators) {
ValueTokenizer PotentialFileReader::next_values(int nparams, const std::string &separators) {
try {
return reader->next_values(nparams, separators);
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
return ValueTokenizer("");
@ -153,7 +153,7 @@ double PotentialFileReader::next_double() {
try {
char * line = reader->next_line(1);
return ValueTokenizer(line).next_double();
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
return 0.0;
@ -167,7 +167,7 @@ int PotentialFileReader::next_int() {
try {
char * line = reader->next_line(1);
return ValueTokenizer(line).next_int();
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
return 0;
@ -181,7 +181,7 @@ tagint PotentialFileReader::next_tagint() {
try {
char * line = reader->next_line(1);
return ValueTokenizer(line).next_tagint();
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
return 0;
@ -195,7 +195,7 @@ bigint PotentialFileReader::next_bigint() {
try {
char * line = reader->next_line(1);
return ValueTokenizer(line).next_bigint();
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
return 0;
@ -209,7 +209,7 @@ std::string PotentialFileReader::next_string() {
try {
char * line = reader->next_line(1);
return ValueTokenizer(line).next_string();
} catch (FileReaderException & e) {
} catch (FileReaderException &e) {
error->one(FLERR, e.what());
}
return "";

2
src/reader_native.cpp
View File

@ -334,7 +334,7 @@ void ReaderNative::read_atoms(int n, int nfield, double **fields)
return index of match or -1 if no match
------------------------------------------------------------------------- */
int ReaderNative::find_label(const std::string & label, const std::map<std::string, int> & labels)
int ReaderNative::find_label(const std::string &label, const std::map<std::string, int> & labels)
{
auto it = labels.find(label);
if (it != labels.end()) {

2
src/reader_native.h
View File

@ -45,7 +45,7 @@ private:
int nwords; // # of per-atom columns in dump file
int *fieldindex; //
int find_label(const std::string & label, const std::map<std::string, int> & labels);
int find_label(const std::string &label, const std::map<std::string, int> & labels);
void read_lines(int);
};

2
src/table_file_reader.cpp
View File

@ -33,7 +33,7 @@ TableFileReader::TableFileReader(LAMMPS *lmp,
TableFileReader::~TableFileReader() {
}
char *TableFileReader::find_section_start(const std::string & keyword) {
char *TableFileReader::find_section_start(const std::string &keyword) {
char *line = nullptr;
while ((line = reader->next_line())) {
ValueTokenizer values(line);

2
src/text_file_reader.cpp
View File

@ -164,6 +164,6 @@ void TextFileReader::next_dvector(double * list, int n) {
* \param separators String with list of separators.
* \return ValueTokenizer object for read in text */
ValueTokenizer TextFileReader::next_values(int nparams, const std::string & separators) {
ValueTokenizer TextFileReader::next_values(int nparams, const std::string &separators) {
return ValueTokenizer(next_line(nparams), separators);
}

6
src/text_file_reader.h
View File

@ -41,13 +41,13 @@ namespace LAMMPS_NS
char * next_line(int nparams = 0);
void next_dvector(double * list, int n);
ValueTokenizer next_values(int nparams, const std::string & separators = TOKENIZER_DEFAULT_SEPARATORS);
ValueTokenizer next_values(int nparams, const std::string &separators = TOKENIZER_DEFAULT_SEPARATORS);
};
class FileReaderException : public std::exception {
std::string message;
public:
FileReaderException(const std::string & msg) : message(msg) {
FileReaderException(const std::string &msg) : message(msg) {
}
~FileReaderException() throw() {
@ -60,7 +60,7 @@ namespace LAMMPS_NS
class EOFException : public FileReaderException {
public:
EOFException(const std::string & msg) : FileReaderException(msg) {
EOFException(const std::string &msg) : FileReaderException(msg) {
}
};

16
src/tokenizer.cpp
View File

@ -24,7 +24,7 @@
using namespace LAMMPS_NS;
TokenizerException::TokenizerException(const std::string & msg, const std::string & token){
TokenizerException::TokenizerException(const std::string &msg, const std::string &token){
if(token.empty()) {
message = msg;
} else {
@ -47,13 +47,13 @@ TokenizerException::TokenizerException(const std::string & msg, const std::strin
* \param str string to be processed
* \param separators string with separator characters (default: " \t\r\n\f") */
Tokenizer::Tokenizer(const std::string & str, const std::string & separators) :
Tokenizer::Tokenizer(const std::string &str, const std::string &separators) :
text(str), separators(separators), start(0), ntokens(std::string::npos)
{
reset();
}
Tokenizer::Tokenizer(const Tokenizer & rhs) :
Tokenizer::Tokenizer(const Tokenizer &rhs) :
text(rhs.text), separators(rhs.separators), ntokens(rhs.ntokens)
{
reset();
@ -75,7 +75,7 @@ void Tokenizer::reset() {
*
* \param str string to be searched for
* \return true if string was found, false if not */
bool Tokenizer::contains(const std::string & str) const {
bool Tokenizer::contains(const std::string &str) const {
return text.find(str) != std::string::npos;
}
@ -169,13 +169,13 @@ std::vector<std::string> Tokenizer::as_vector() {
*
* \see Tokenizer InvalidIntegerException InvalidFloatException */
ValueTokenizer::ValueTokenizer(const std::string & str, const std::string & separators) : tokens(str, separators) {
ValueTokenizer::ValueTokenizer(const std::string &str, const std::string &separators) : tokens(str, separators) {
}
ValueTokenizer::ValueTokenizer(const ValueTokenizer & rhs) : tokens(rhs.tokens) {
ValueTokenizer::ValueTokenizer(const ValueTokenizer &rhs) : tokens(rhs.tokens) {
}
ValueTokenizer::ValueTokenizer(ValueTokenizer && rhs) : tokens(std::move(rhs.tokens)) {
ValueTokenizer::ValueTokenizer(ValueTokenizer &&rhs) : tokens(std::move(rhs.tokens)) {
}
/*! Indicate whether more tokens are available
@ -189,7 +189,7 @@ bool ValueTokenizer::has_next() const {
*
* \param value string with value to be searched for
* \return true if string was found, false if not */
bool ValueTokenizer::contains(const std::string & value) const {
bool ValueTokenizer::contains(const std::string &value) const {
return tokens.contains(value);
}