diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 5f2acfda57..6c417026ca 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -193,16 +193,16 @@ DumpCustom::~DumpCustom() // could not do in constructor, b/c some derived classes process earg if (expand) { - for (int i = 0; i < nargnew; i++) delete [] earg[i]; + for (int i = 0; i < nargnew; i++) delete[] earg[i]; memory->sfree(earg); } - delete [] pack_choice; - delete [] vtype; + delete[] pack_choice; + delete[] vtype; memory->destroy(field2index); memory->destroy(argindex); - delete [] idregion; + delete[] idregion; memory->destroy(thresh_array); memory->destroy(thresh_op); memory->destroy(thresh_value); @@ -212,27 +212,27 @@ DumpCustom::~DumpCustom() for (int i = 0; i < nthreshlast; i++) { if (modify->nfix) modify->delete_fix(thresh_fixID[i]); - delete [] thresh_fixID[i]; + delete[] thresh_fixID[i]; } memory->sfree(thresh_fix); memory->sfree(thresh_fixID); memory->destroy(thresh_first); - for (int i = 0; i < ncompute; i++) delete [] id_compute[i]; + for (int i = 0; i < ncompute; i++) delete[] id_compute[i]; memory->sfree(id_compute); - delete [] compute; + delete[] compute; - for (int i = 0; i < nfix; i++) delete [] id_fix[i]; + for (int i = 0; i < nfix; i++) delete[] id_fix[i]; memory->sfree(id_fix); - delete [] fix; + delete[] fix; - for (int i = 0; i < nvariable; i++) delete [] id_variable[i]; + for (int i = 0; i < nvariable; i++) delete[] id_variable[i]; memory->sfree(id_variable); - delete [] variable; + delete[] variable; for (int i = 0; i < nvariable; i++) memory->destroy(vbuf[i]); - delete [] vbuf; + delete[] vbuf; - for (int i = 0; i < ncustom; i++) delete [] id_custom[i]; + for (int i = 0; i < ncustom; i++) delete[] id_custom[i]; memory->sfree(id_custom); memory->sfree(flag_custom); @@ -240,20 +240,20 @@ DumpCustom::~DumpCustom() memory->destroy(dchoose); memory->destroy(clist); - for (int i = 1; i <= ntypes; i++) delete [] typenames[i]; - delete [] typenames; + for (int i = 1; i <= ntypes; i++) delete[] typenames[i]; + delete[] typenames; if (vformat) { - for (int i = 0; i < nfield; i++) delete [] vformat[i]; - delete [] vformat; + for (int i = 0; i < nfield; i++) delete[] vformat[i]; + delete[] vformat; } if (format_column_user) { - for (int i = 0; i < nfield; i++) delete [] format_column_user[i]; - delete [] format_column_user; + for (int i = 0; i < nfield; i++) delete[] format_column_user[i]; + delete[] format_column_user; } - delete [] columns; + delete[] columns; } /* ---------------------------------------------------------------------- */ @@ -262,7 +262,7 @@ void DumpCustom::init_style() { // format = copy of default or user-specified line format - delete [] format; + delete[] format; if (format_line_user) format = utils::strdup(format_line_user); else format = utils::strdup(format_default); @@ -277,7 +277,7 @@ void DumpCustom::init_style() int i=0; for (auto word : words) { - delete [] vformat[i]; + delete[] vformat[i]; if (format_column_user[i]) vformat[i] = utils::strdup(std::string(format_column_user[i]) + " "); @@ -1429,6 +1429,7 @@ int DumpCustom::parse_fields(int narg, char **arg) ArgInfo argi(arg[iarg],ArgInfo::COMPUTE|ArgInfo::FIX|ArgInfo::VARIABLE |ArgInfo::DNAME|ArgInfo::INAME); argindex[iarg] = argi.get_index1(); + auto name = argi.get_name(); switch (argi.get_type()) { @@ -1443,21 +1444,19 @@ int DumpCustom::parse_fields(int narg, char **arg) pack_choice[iarg] = &DumpCustom::pack_compute; vtype[iarg] = Dump::DOUBLE; - n = modify->find_compute(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump custom compute ID"); + n = modify->find_compute(name); + if (n < 0) error->all(FLERR,"Could not find dump custom compute ID: {}",name); if (modify->compute[n]->peratom_flag == 0) - error->all(FLERR,"Dump custom compute does not compute per-atom info"); + error->all(FLERR,"Dump custom compute {} does not compute per-atom info",name); if (argi.get_dim() == 0 && modify->compute[n]->size_peratom_cols > 0) - error->all(FLERR, - "Dump custom compute does not calculate per-atom vector"); + error->all(FLERR,"Dump custom compute {} does not calculate per-atom vector",name); if (argi.get_dim() > 0 && modify->compute[n]->size_peratom_cols == 0) - error->all(FLERR, - "Dump custom compute does not calculate per-atom array"); + error->all(FLERR,"Dump custom compute {} does not calculate per-atom array",name); if (argi.get_dim() > 0 && argi.get_index1() > modify->compute[n]->size_peratom_cols) - error->all(FLERR,"Dump custom compute vector is accessed out-of-range"); + error->all(FLERR,"Dump custom compute {} vector is accessed out-of-range",name); - field2index[iarg] = add_compute(argi.get_name()); + field2index[iarg] = add_compute(name); break; // fix value = f_ID @@ -1467,19 +1466,19 @@ int DumpCustom::parse_fields(int narg, char **arg) pack_choice[iarg] = &DumpCustom::pack_fix; vtype[iarg] = Dump::DOUBLE; - n = modify->find_fix(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump custom fix ID"); + n = modify->find_fix(name); + if (n < 0) error->all(FLERR,"Could not find dump custom fix ID: {}",name); if (modify->fix[n]->peratom_flag == 0) - error->all(FLERR,"Dump custom fix does not compute per-atom info"); + error->all(FLERR,"Dump custom fix {} does not compute per-atom info",name); if (argi.get_dim() == 0 && modify->fix[n]->size_peratom_cols > 0) - error->all(FLERR,"Dump custom fix does not compute per-atom vector"); + error->all(FLERR,"Dump custom fix {} does not compute per-atom vector",name); if (argi.get_dim() > 0 && modify->fix[n]->size_peratom_cols == 0) - error->all(FLERR,"Dump custom fix does not compute per-atom array"); + error->all(FLERR,"Dump custom fix {} does not compute per-atom array",name); if (argi.get_dim() > 0 && argi.get_index1() > modify->fix[n]->size_peratom_cols) - error->all(FLERR,"Dump custom fix vector is accessed out-of-range"); + error->all(FLERR,"Dump custom fix {} vector is accessed out-of-range",name); - field2index[iarg] = add_fix(argi.get_name()); + field2index[iarg] = add_fix(name); break; // variable value = v_name @@ -1488,12 +1487,12 @@ int DumpCustom::parse_fields(int narg, char **arg) pack_choice[iarg] = &DumpCustom::pack_variable; vtype[iarg] = Dump::DOUBLE; - n = input->variable->find(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump custom variable name"); + n = input->variable->find(name); + if (n < 0) error->all(FLERR,"Could not find dump custom variable name {}",name); if (input->variable->atomstyle(n) == 0) - error->all(FLERR,"Dump custom variable is not atom-style variable"); + error->all(FLERR,"Dump custom variable {} is not atom-style variable",name); - field2index[iarg] = add_variable(argi.get_name()); + field2index[iarg] = add_variable(name); break; // custom per-atom floating point value = d_ID @@ -1503,14 +1502,14 @@ int DumpCustom::parse_fields(int narg, char **arg) vtype[iarg] = Dump::DOUBLE; tmp = -1; - n = atom->find_custom(argi.get_name(),tmp); + n = atom->find_custom(name,tmp); if (n < 0) - error->all(FLERR,"Could not find custom per-atom property ID"); + error->all(FLERR,"Could not find custom per-atom property ID: {}", name); if (tmp != 1) - error->all(FLERR,"Custom per-atom property ID is not floating point"); + error->all(FLERR,"Custom per-atom property ID {} is not floating point", name); - field2index[iarg] = add_custom(argi.get_name(),1); + field2index[iarg] = add_custom(name,1); break; // custom per-atom integer value = i_ID @@ -1520,14 +1519,14 @@ int DumpCustom::parse_fields(int narg, char **arg) vtype[iarg] = Dump::INT; tmp = -1; - n = atom->find_custom(argi.get_name(),tmp); + n = atom->find_custom(name,tmp); if (n < 0) - error->all(FLERR,"Could not find custom per-atom property ID"); + error->all(FLERR,"Could not find custom per-atom property ID: {}", name); if (tmp != 0) - error->all(FLERR,"Custom per-atom property ID is not integer"); + error->all(FLERR,"Custom per-atom property ID {} is not integer", name); - field2index[iarg] = add_custom(argi.get_name(),0); + field2index[iarg] = add_custom(name,0); break; default: @@ -1554,7 +1553,7 @@ int DumpCustom::add_compute(const char *id) id_compute = (char **) memory->srealloc(id_compute,(ncompute+1)*sizeof(char *),"dump:id_compute"); - delete [] compute; + delete[] compute; compute = new Compute*[ncompute+1]; id_compute[ncompute] = utils::strdup(id); @@ -1577,7 +1576,7 @@ int DumpCustom::add_fix(const char *id) id_fix = (char **) memory->srealloc(id_fix,(nfix+1)*sizeof(char *),"dump:id_fix"); - delete [] fix; + delete[] fix; fix = new Fix*[nfix+1]; id_fix[nfix] = utils::strdup(id); @@ -1601,9 +1600,9 @@ int DumpCustom::add_variable(const char *id) id_variable = (char **) memory->srealloc(id_variable,(nvariable+1)*sizeof(char *), "dump:id_variable"); - delete [] variable; + delete[] variable; variable = new int[nvariable+1]; - delete [] vbuf; + delete[] vbuf; vbuf = new double*[nvariable+1]; for (int i = 0; i <= nvariable; i++) vbuf[i] = nullptr; @@ -1648,8 +1647,8 @@ int DumpCustom::modify_param(int narg, char **arg) else { iregion = domain->find_region(arg[1]); if (iregion == -1) - error->all(FLERR,"Dump_modify region ID does not exist"); - delete [] idregion; + error->all(FLERR,"Dump_modify region ID {} does not exist",arg[1]); + delete[] idregion; idregion = utils::strdup(arg[1]); } return 2; @@ -1661,7 +1660,7 @@ int DumpCustom::modify_param(int narg, char **arg) if (strcmp(arg[1],"none") == 0) { // just clear format_column_user allocated by this dump child class for (int i = 0; i < nfield; i++) { - delete [] format_column_user[i]; + delete[] format_column_user[i]; format_column_user[i] = nullptr; } return 2; @@ -1670,17 +1669,16 @@ int DumpCustom::modify_param(int narg, char **arg) if (narg < 3) error->all(FLERR,"Illegal dump_modify command"); if (strcmp(arg[1],"int") == 0) { - delete [] format_int_user; + delete[] format_int_user; format_int_user = utils::strdup(arg[2]); - delete [] format_bigint_user; + delete[] format_bigint_user; int n = strlen(format_int_user) + 8; format_bigint_user = new char[n]; // replace "d" in format_int_user with bigint format specifier // use of &str[1] removes leading '%' from BIGINT_FORMAT string char *ptr = strchr(format_int_user,'d'); if (ptr == nullptr) - error->all(FLERR, - "Dump_modify int format does not contain d character"); + error->all(FLERR,"Dump_modify int format does not contain d character"); char str[8]; sprintf(str,"%s",BIGINT_FORMAT); *ptr = '\0'; @@ -1688,14 +1686,14 @@ int DumpCustom::modify_param(int narg, char **arg) *ptr = 'd'; } else if (strcmp(arg[1],"float") == 0) { - delete [] format_float_user; + delete[] format_float_user; format_float_user = utils::strdup(arg[2]); } else { int i = utils::inumeric(FLERR,arg[1],false,lmp) - 1; if (i < 0 || i >= nfield) error->all(FLERR,"Illegal dump_modify command"); - if (format_column_user[i]) delete [] format_column_user[i]; + if (format_column_user[i]) delete[] format_column_user[i]; format_column_user[i] = utils::strdup(arg[2]); } return 3; @@ -1703,10 +1701,10 @@ int DumpCustom::modify_param(int narg, char **arg) if (strcmp(arg[0],"element") == 0) { if (narg < ntypes+1) - error->all(FLERR,"Dump_modify element names do not match atom types"); + error->all(FLERR,"Number of dump_modify element names does not match number of atom types"); - for (int i = 1; i <= ntypes; i++) delete [] typenames[i]; - delete [] typenames; + for (int i = 1; i <= ntypes; i++) delete[] typenames[i]; + delete[] typenames; typenames = new char*[ntypes+1]; for (int itype = 1; itype <= ntypes; itype++) { typenames[itype] = utils::strdup(arg[itype]); @@ -1739,7 +1737,7 @@ int DumpCustom::modify_param(int narg, char **arg) thresh_last = nullptr; for (int i = 0; i < nthreshlast; i++) { modify->delete_fix(thresh_fixID[i]); - delete [] thresh_fixID[i]; + delete[] thresh_fixID[i]; } thresh_fix = nullptr; thresh_fixID = nullptr; @@ -1850,6 +1848,7 @@ int DumpCustom::modify_param(int narg, char **arg) ArgInfo argi(arg[1],ArgInfo::COMPUTE|ArgInfo::FIX|ArgInfo::VARIABLE |ArgInfo::DNAME|ArgInfo::INAME); argindex[nfield+nthresh] = argi.get_index1(); + auto name = argi.get_name(); switch (argi.get_type()) { @@ -1862,23 +1861,20 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::COMPUTE: thresh_array[nthresh] = COMPUTE; - n = modify->find_compute(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump modify compute ID"); + n = modify->find_compute(name); + if (n < 0) error->all(FLERR,"Could not find dump modify compute ID: {}",name); if (modify->compute[n]->peratom_flag == 0) - error->all(FLERR, - "Dump modify compute ID does not compute per-atom info"); + error->all(FLERR,"Dump modify compute ID {} does not compute per-atom info",name); if (argi.get_dim() == 0 && modify->compute[n]->size_peratom_cols > 0) - error->all(FLERR, - "Dump modify compute ID does not compute per-atom vector"); + error->all(FLERR,"Dump modify compute ID {} does not compute per-atom vector",name); if (argi.get_index1() > 0 && modify->compute[n]->size_peratom_cols == 0) - error->all(FLERR, - "Dump modify compute ID does not compute per-atom array"); + error->all(FLERR,"Dump modify compute ID {} does not compute per-atom array",name); if (argi.get_index1() > 0 && argi.get_index1() > modify->compute[n]->size_peratom_cols) - error->all(FLERR,"Dump modify compute ID vector is not large enough"); + error->all(FLERR,"Dump modify compute ID {} vector is not large enough",name); - field2index[nfield+nthresh] = add_compute(argi.get_name()); + field2index[nfield+nthresh] = add_compute(name); break; // fix value = f_ID @@ -1886,20 +1882,19 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::FIX: thresh_array[nthresh] = FIX; - n = modify->find_fix(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump modify fix ID"); + n = modify->find_fix(name); + if (n < 0) error->all(FLERR,"Could not find dump modify fix ID: {}",name); if (modify->fix[n]->peratom_flag == 0) - error->all(FLERR,"Dump modify fix ID does not compute per-atom info"); + error->all(FLERR,"Dump modify fix ID {} does not compute per-atom info",name); if (argi.get_dim() == 0 && modify->fix[n]->size_peratom_cols > 0) - error->all(FLERR,"Dump modify fix ID does not compute per-atom vector"); + error->all(FLERR,"Dump modify fix ID {} does not compute per-atom vector",name); if (argi.get_index1() > 0 && modify->fix[n]->size_peratom_cols == 0) - error->all(FLERR,"Dump modify fix ID does not compute per-atom array"); - if (argi.get_index1() > 0 && - argi.get_index1() > modify->fix[n]->size_peratom_cols) - error->all(FLERR,"Dump modify fix ID vector is not large enough"); + error->all(FLERR,"Dump modify fix ID {} does not compute per-atom array",name); + if (argi.get_index1() > 0 && argi.get_index1() > modify->fix[n]->size_peratom_cols) + error->all(FLERR,"Dump modify fix ID {} vector is not large enough",name); - field2index[nfield+nthresh] = add_fix(argi.get_name()); + field2index[nfield+nthresh] = add_fix(name); break; // variable value = v_ID @@ -1907,12 +1902,12 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::VARIABLE: thresh_array[nthresh] = VARIABLE; - n = input->variable->find(argi.get_name()); - if (n < 0) error->all(FLERR,"Could not find dump modify variable name"); + n = input->variable->find(name); + if (n < 0) error->all(FLERR,"Could not find dump modify variable name: {}",name); if (input->variable->atomstyle(n) == 0) - error->all(FLERR,"Dump modify variable is not atom-style variable"); + error->all(FLERR,"Dump modify variable {} is not atom-style variable",name); - field2index[nfield+nthresh] = add_variable(argi.get_name()); + field2index[nfield+nthresh] = add_variable(name); break; // custom per atom floating point value = d_ID @@ -1920,12 +1915,11 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::DNAME: thresh_array[nthresh] = DNAME; tmp = -1; - n = atom->find_custom(argi.get_name(),tmp); + n = atom->find_custom(name,tmp); if ((n < 0) || (tmp != 1)) - error->all(FLERR,"Could not find dump modify " - "custom atom floating point property ID"); + error->all(FLERR,"Could not find dump modify custom atom floating point property ID: {}",name); - field2index[nfield+nthresh] = add_custom(argi.get_name(),1); + field2index[nfield+nthresh] = add_custom(name,1); break; // custom per atom integer value = i_ID @@ -1933,16 +1927,15 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::INAME: thresh_array[nthresh] = INAME; tmp = -1; - n = atom->find_custom(argi.get_name(),tmp); + n = atom->find_custom(name,tmp); if ((n < 0) || (tmp != 0)) - error->all(FLERR,"Could not find dump modify " - "custom atom integer property ID"); + error->all(FLERR,"Could not find dump modify custom atom integer property ID: {}",name); - field2index[nfield+nthresh] = add_custom(argi.get_name(),0); + field2index[nfield+nthresh] = add_custom(name,0); break; default: - error->all(FLERR,"Invalid dump_modify thresh attribute"); + error->all(FLERR,"Invalid dump_modify thresh attribute: {}",name); break; } }