From b6834f33c01ed5324860bf702f46d55d5fe034e3 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Tue, 30 Jul 2024 14:21:56 -0400
Subject: [PATCH] modernize, more selective argument checking, better error
 messages

---
 src/compute_bond_local.cpp | 14 +++++++-------
 src/compute_pair_local.cpp | 12 +++++-------
 2 files changed, 12 insertions(+), 14 deletions(-)

diff --git a/src/compute_bond_local.cpp b/src/compute_bond_local.cpp
index 38cc372e22..e3c3e26a85 100644
--- a/src/compute_bond_local.cpp
+++ b/src/compute_bond_local.cpp
@@ -82,7 +82,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
       bstyle[nvalues++] = VARIABLE;
       vstr[nvar] = utils::strdup(&arg[iarg][2]);
       nvar++;
-    } else if (arg[iarg][0] == 'b') {
+    } else if (utils::strmatch(arg[iarg], "^b\\d+$")) {  // b1, b2, b3, ... bN
       int n = std::stoi(&arg[iarg][1]);
       if (n <= 0) error->all(FLERR, "Invalid keyword {} in compute bond/local command", arg[iarg]);
       bstyle[nvalues] = BN;
@@ -98,13 +98,13 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
   while (iarg < narg) {
     if (strcmp(arg[iarg],"set") == 0) {
       setflag = 1;
-      if (iarg+3 > narg) error->all(FLERR,"Illegal compute bond/local command");
+      if (iarg+3 > narg) utils::missing_cmd_args(FLERR,"compute bond/local set", error);
       if (strcmp(arg[iarg+1],"dist") == 0) {
         delete [] dstr;
         dstr = utils::strdup(arg[iarg+2]);
-      } else error->all(FLERR,"Illegal compute bond/local command");
+      } else error->all(FLERR,"Unknown compute bond/local set keyword: {}", arg[iarg+2]);
       iarg += 3;
-    } else error->all(FLERR,"Illegal compute bond/local command");
+    } else error->all(FLERR,"Unknown compute bond/local keyword: {}", arg[iarg]);
   }
 
   // error check
@@ -115,9 +115,9 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
     for (int i = 0; i < nvar; i++) {
       vvar[i] = input->variable->find(vstr[i]);
       if (vvar[i] < 0)
-        error->all(FLERR,"Variable name for copute bond/local does not exist");
+        error->all(FLERR,"Variable name {} for copute bond/local does not exist", vstr[i]);
       if (!input->variable->equalstyle(vvar[i]))
-        error->all(FLERR,"Variable for compute bond/local is invalid style");
+        error->all(FLERR,"Variable {} for compute bond/local is invalid style", vstr[i]);
     }
 
     if (dstr) {
@@ -128,7 +128,7 @@ ComputeBondLocal::ComputeBondLocal(LAMMPS *lmp, int narg, char **arg) :
         error->all(FLERR,"Variable for compute bond/local is invalid style");
     }
   } else if (setflag)
-    error->all(FLERR,"Compute bond/local set with no variable");
+    error->all(FLERR,"Compute bond/local set used with without a variable");
 
 
   // set singleflag if need to call bond->single()
diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp
index ac6a3bfb99..351b499468 100644
--- a/src/compute_pair_local.cpp
+++ b/src/compute_pair_local.cpp
@@ -66,15 +66,13 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
       pstyle[nvalues++] = DY;
     else if (strcmp(arg[iarg], "dz") == 0)
       pstyle[nvalues++] = DZ;
-    else if (arg[iarg][0] == 'p') {
+    else if (utils::strmatch(arg[iarg], "^p\\d+$")) {    // p1, p2, p3, ... pN
       int n = std::stoi(&arg[iarg][1]);
       if (n <= 0) error->all(FLERR, "Invalid keyword {} in compute pair/local command", arg[iarg]);
       pstyle[nvalues] = PN;
       pindex[nvalues++] = n - 1;
-
     } else
       break;
-
     iarg++;
   }
 
@@ -84,22 +82,22 @@ ComputePairLocal::ComputePairLocal(LAMMPS *lmp, int narg, char **arg) :
 
   while (iarg < narg) {
     if (strcmp(arg[iarg], "cutoff") == 0) {
-      if (iarg + 2 > narg) error->all(FLERR, "Illegal compute pair/local command");
+      if (iarg + 2 > narg) utils::missing_cmd_args(FLERR, "compute pair/local cutoff", error);
       if (strcmp(arg[iarg + 1], "type") == 0)
         cutstyle = TYPE;
       else if (strcmp(arg[iarg + 1], "radius") == 0)
         cutstyle = RADIUS;
       else
-        error->all(FLERR, "Illegal compute pair/local command");
+        error->all(FLERR, "Unknown compute pair/local cutoff keyword: {}", arg[iarg + 1]);
       iarg += 2;
     } else
-      error->all(FLERR, "Illegal compute pair/local command");
+      error->all(FLERR, "Unknown compute pair/local keyword: {}", arg[iarg]);
   }
 
   // error check
 
   if (cutstyle == RADIUS && !atom->radius_flag)
-    error->all(FLERR, "Compute pair/local requires atom attribute radius");
+    error->all(FLERR, "This compute pair/local requires atom attribute radius");
 
   // set singleflag if need to call pair->single()