From a20ed8e5e4bc40ebc65e0ba0954a4c091e8d76f2 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 16 Jun 2023 12:13:22 -0400 Subject: [PATCH] improve error messages for dump style custom --- src/dump_custom.cpp | 75 +++++++++++++++++++++++---------------------- 1 file changed, 38 insertions(+), 37 deletions(-) diff --git a/src/dump_custom.cpp b/src/dump_custom.cpp index 517956caf1..33cfba2cef 100644 --- a/src/dump_custom.cpp +++ b/src/dump_custom.cpp @@ -61,12 +61,12 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) : fix(nullptr), id_variable(nullptr), variable(nullptr), vbuf(nullptr), id_custom(nullptr), custom(nullptr), custom_flag(nullptr), typenames(nullptr), pack_choice(nullptr) { - if (narg == 5) error->all(FLERR,"No dump custom arguments specified"); + if (narg == 5) error->all(FLERR,"No dump {} arguments specified", style); clearstep = 1; nevery = utils::inumeric(FLERR,arg[3],false,lmp); - if (nevery <= 0) error->all(FLERR,"Illegal dump custom command"); + if (nevery <= 0) error->all(FLERR,"Illegal dump {} command: output frequency must be > 0", style); // expand args if any have wildcard character "*" // ok to include trailing optional args, @@ -141,7 +141,7 @@ DumpCustom::DumpCustom(LAMMPS *lmp, int narg, char **arg) : else if (vtype[i] == Dump::BIGINT) cols += BIGINT_FORMAT " "; vformat[i] = nullptr; } - cols.resize(cols.size()-1); + if (nfield > 0) cols.resize(cols.size()-1); format_default = utils::strdup(cols); format_column_user = new char*[nfield]; @@ -309,20 +309,20 @@ void DumpCustom::init_style() for (i = 0; i < ncompute; i++) { compute[i] = modify->get_compute_by_id(id_compute[i]); - if (!compute[i]) error->all(FLERR,"Could not find dump custom compute ID {}",id_compute[i]); + if (!compute[i]) error->all(FLERR,"Could not find dump {} compute ID {}",style,id_compute[i]); } for (i = 0; i < nfix; i++) { fix[i] = modify->get_fix_by_id(id_fix[i]); - if (!fix[i]) error->all(FLERR,"Could not find dump custom fix ID {}", id_fix[i]); + if (!fix[i]) error->all(FLERR,"Could not find dump {} fix ID {}", style, id_fix[i]); if (nevery % fix[i]->peratom_freq) - error->all(FLERR,"Dump custom and fix not computed at compatible times"); + error->all(FLERR,"Dump {} and fix not computed at compatible times", style); } for (i = 0; i < nvariable; i++) { int ivariable = input->variable->find(id_variable[i]); if (ivariable < 0) - error->all(FLERR,"Could not find dump custom variable name {}", id_variable[i]); + error->all(FLERR,"Could not find dump {} variable name {}", style, id_variable[i]); variable[i] = ivariable; } @@ -330,7 +330,7 @@ void DumpCustom::init_style() for (int i = 0; i < ncustom; i++) { icustom = atom->find_custom(id_custom[i],flag,cols); if (icustom < 0) - error->all(FLERR,"Could not find dump custom atom property name"); + error->all(FLERR,"Could not find dump {} atom property name", style); custom[i] = icustom; if (!flag && !cols) custom_flag[i] = IVEC; else if (flag && !cols) custom_flag[i] = DVEC; @@ -341,7 +341,7 @@ void DumpCustom::init_style() // check validity of region if (idregion && !domain->get_region_by_id(idregion)) - error->all(FLERR,"Region {} for dump custom does not exist", idregion); + error->all(FLERR,"Region {} for dump {} does not exist", idregion, style); // open single file, one time only @@ -1461,7 +1461,8 @@ int DumpCustom::parse_fields(int narg, char **arg) switch (argi.get_type()) { case ArgInfo::UNKNOWN: - error->all(FLERR,"Invalid attribute in dump custom command"); + case ArgInfo::NONE: + error->all(FLERR,"Invalid attribute {} in dump {} command",arg[iarg],style); break; // compute value = c_ID @@ -1472,15 +1473,15 @@ int DumpCustom::parse_fields(int narg, char **arg) vtype[iarg] = Dump::DOUBLE; icompute = modify->get_compute_by_id(name); - if (!icompute) error->all(FLERR,"Could not find dump custom compute ID: {}",name); + if (!icompute) error->all(FLERR,"Could not find dump {} compute ID: {}", style, name); if (icompute->peratom_flag == 0) - error->all(FLERR,"Dump custom compute {} does not compute per-atom info",name); + error->all(FLERR,"Dump {} compute {} does not compute per-atom info", style, name); if (argi.get_dim() == 0 && icompute->size_peratom_cols > 0) - error->all(FLERR,"Dump custom compute {} does not calculate per-atom vector",name); + error->all(FLERR,"Dump {} compute {} does not calculate per-atom vector", style, name); if (argi.get_dim() > 0 && icompute->size_peratom_cols == 0) - error->all(FLERR,"Dump custom compute {} does not calculate per-atom array",name); + error->all(FLERR,"Dump {} compute {} does not calculate per-atom array", style, name); if (argi.get_dim() > 0 && argi.get_index1() > icompute->size_peratom_cols) - error->all(FLERR,"Dump custom compute {} vector is accessed out-of-range",name); + error->all(FLERR,"Dump {} compute {} vector is accessed out-of-range", style, name); field2index[iarg] = add_compute(name); break; @@ -1493,15 +1494,15 @@ int DumpCustom::parse_fields(int narg, char **arg) vtype[iarg] = Dump::DOUBLE; ifix = modify->get_fix_by_id(name); - if (!ifix) error->all(FLERR,"Could not find dump custom fix ID: {}",name); + if (!ifix) error->all(FLERR,"Could not find dump {} fix ID: {}", style, name); if (ifix->peratom_flag == 0) - error->all(FLERR,"Dump custom fix {} does not compute per-atom info",name); + error->all(FLERR,"Dump {} fix {} does not compute per-atom info", style, name); if (argi.get_dim() == 0 && ifix->size_peratom_cols > 0) - error->all(FLERR,"Dump custom fix {} does not compute per-atom vector",name); + error->all(FLERR,"Dump {} fix {} does not compute per-atom vector", style, name); if (argi.get_dim() > 0 && ifix->size_peratom_cols == 0) - error->all(FLERR,"Dump custom fix {} does not compute per-atom array",name); + error->all(FLERR,"Dump {} fix {} does not compute per-atom array", style, name); if (argi.get_dim() > 0 && argi.get_index1() > ifix->size_peratom_cols) - error->all(FLERR,"Dump custom fix {} vector is accessed out-of-range",name); + error->all(FLERR,"Dump {} fix {} vector is accessed out-of-range", style, name); field2index[iarg] = add_fix(name); break; @@ -1513,9 +1514,9 @@ int DumpCustom::parse_fields(int narg, char **arg) vtype[iarg] = Dump::DOUBLE; n = input->variable->find(name); - if (n < 0) error->all(FLERR,"Could not find dump custom variable name {}",name); + if (n < 0) error->all(FLERR,"Could not find dump {} variable name {}", style, name); if (input->variable->atomstyle(n) == 0) - error->all(FLERR,"Dump custom variable {} is not atom-style variable",name); + error->all(FLERR,"Dump {} variable {} is not atom-style variable", style, name); field2index[iarg] = add_variable(name); break; @@ -1532,12 +1533,12 @@ int DumpCustom::parse_fields(int narg, char **arg) error->all(FLERR,"Could not find custom per-atom property ID: {}", name); if (argindex[iarg] == 0) { if (!flag || cols) - error->all(FLERR,"Property double vector {} for dump custom does not exist",name); + error->all(FLERR,"Property double vector {} for dump {} does not exist", name, style); } else { if (!flag || !cols) - error->all(FLERR,"Property double array {} for dump custom does not exist",name); + error->all(FLERR,"Property double array {} for dump {} does not exist", name, style); if (argindex[iarg] > atom->dcols[n]) - error->all(FLERR,"Dump custom property array {} is accessed out-of-range",name); + error->all(FLERR,"Dump {} property array {} is accessed out-of-range", style, name); } field2index[iarg] = add_custom(name,1); @@ -1555,12 +1556,12 @@ int DumpCustom::parse_fields(int narg, char **arg) error->all(FLERR,"Could not find custom per-atom property ID: {}", name); if (argindex[iarg] == 0) { if (flag || cols) - error->all(FLERR,"Property integer vector {} for dump custom does not exist",name); + error->all(FLERR,"Property integer vector {} for dump {} does not exist", name, style); } else { if (flag || !cols) - error->all(FLERR,"Property integer array {} for dump custom does not exist",name); + error->all(FLERR,"Property integer array {} for dump {} does not exist", name, style); if (argindex[iarg] > atom->icols[n]) - error->all(FLERR,"Dump custom property array {} is accessed out-of-range",name); + error->all(FLERR,"Dump {} property array {} is accessed out-of-range", style, name); } field2index[iarg] = add_custom(name,0); @@ -1945,9 +1946,9 @@ int DumpCustom::modify_param(int narg, char **arg) case ArgInfo::VARIABLE: thresh_array[nthresh] = VARIABLE; n = input->variable->find(name); - if (n < 0) error->all(FLERR,"Could not find dump modify variable name: {}",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",name); + error->all(FLERR,"Dump modify variable {} is not atom-style variable", name); field2index[nfield+nthresh] = add_variable(name); break; @@ -1961,13 +1962,13 @@ int DumpCustom::modify_param(int narg, char **arg) error->all(FLERR,"Could not find custom per-atom property ID: {}", name); if (argindex[nfield+nthresh] == 0) { if (!flag || cols) - error->all(FLERR,"Property double vector for dump custom does not exist"); + error->all(FLERR,"Property double vector {} for dump {} does not exist", name, style); thresh_array[nthresh] = DVEC; } else { if (!flag || !cols) - error->all(FLERR,"Property double array for dump custom does not exist"); + error->all(FLERR,"Property double array {} for dump {} does not exist", name, style); if (argindex[nfield+nthresh] > atom->dcols[n]) - error->all(FLERR,"Dump custom property array is accessed out-of-range"); + error->all(FLERR,"Dump {} property array {} is accessed out-of-range", style, name); thresh_array[nthresh] = DARRAY; } @@ -1983,13 +1984,13 @@ int DumpCustom::modify_param(int narg, char **arg) error->all(FLERR,"Could not find custom per-atom property ID: {}", name); if (argindex[nfield+nthresh] == 0) { if (flag || cols) - error->all(FLERR,"Property integer vector for dump custom does not exist"); + error->all(FLERR,"Property integer vector {} for dump {} does not exist", name, style); thresh_array[nthresh] = IVEC; } else { if (flag || !cols) - error->all(FLERR,"Property integer array for dump custom does not exist"); + error->all(FLERR,"Property integer array {} for dump {} does not exist", name, style); if (argindex[nfield+nthresh] > atom->icols[n]) - error->all(FLERR,"Dump custom property array is accessed out-of-range"); + error->all(FLERR,"Dump {} property array {} is accessed out-of-range", style, name); thresh_array[nthresh] = IARRAY; } @@ -1999,7 +2000,7 @@ int DumpCustom::modify_param(int narg, char **arg) // no match default: - error->all(FLERR,"Invalid dump_modify thresh attribute: {}",name); + error->all(FLERR,"Invalid dump_modify thresh attribute: {}", name); break; } }