implement some examples for using the utils::strmatch() function and use it for inexact Force::pair_match()

src/GPU/fix_gpu.cpp

@@ -30,6 +30,7 @@
 #include "neighbor.h"
 #include "citeme.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace FixConst;
@@ -221,12 +222,11 @@ void FixGPU::init()
   // hybrid cannot be used with force/neigh option
 
   if (_gpu_mode == GPU_NEIGH || _gpu_mode == GPU_HYB_NEIGH)
-    if (force->pair_match("hybrid",1) != NULL ||
+    if (force->pair_match("^hybrid",0) != NULL)
-        force->pair_match("hybrid/overlay",1) != NULL)
       error->all(FLERR,"Cannot use pair hybrid with GPU neighbor list builds");
+
   if (_particle_split < 0)
-    if (force->pair_match("hybrid",1) != NULL ||
+    if (force->pair_match("^hybrid",0) != NULL)
-        force->pair_match("hybrid/overlay",1) != NULL)
       error->all(FLERR,"GPU split param must be positive "
                  "for hybrid pair styles");
 
@@ -243,21 +243,16 @@ void FixGPU::init()
 
   // make sure fdotr virial is not accumulated multiple times
 
-  if (force->pair_match("hybrid",1) != NULL) {
+  if (force->pair_match("^hybrid",0) != NULL) {
     PairHybrid *hybrid = (PairHybrid *) force->pair;
     for (int i = 0; i < hybrid->nstyles; i++)
-      if (strstr(hybrid->keywords[i],"/gpu")==NULL)
+      if (utils::strmatch(hybrid->keywords[i],"/gpu$") == NULL)
-        force->pair->no_virial_fdotr_compute = 1;
-  } else if (force->pair_match("hybrid/overlay",1) != NULL) {
-    PairHybridOverlay *hybrid = (PairHybridOverlay *) force->pair;
-    for (int i = 0; i < hybrid->nstyles; i++)
-      if (strstr(hybrid->keywords[i],"/gpu")==NULL)
         force->pair->no_virial_fdotr_compute = 1;
   }
 
   // rRESPA support
 
-  if (strstr(update->integrate_style,"respa"))
+  if (utils::strmatch(update->integrate_style,"^respa"))
     _nlevels_respa = ((Respa *) update->integrate)->nlevels;
 }
 

src/MANYBODY/fix_qeq_comb.cpp

@@ -33,6 +33,8 @@
 #include "update.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
+
 using namespace LAMMPS_NS;
 using namespace FixConst;
 
@@ -121,12 +123,12 @@ void FixQEQComb::init()
   if (!atom->q_flag)
     error->all(FLERR,"Fix qeq/comb requires atom attribute q");
 
-  comb = (PairComb *) force->pair_match("comb",1);
+  comb = (PairComb *) force->pair_match("^comb",0);
-  comb3 = (PairComb3 *) force->pair_match("comb3",1);
+  comb3 = (PairComb3 *) force->pair_match("^comb3",0);
   if (comb == NULL && comb3 == NULL)
     error->all(FLERR,"Must use pair_style comb or comb3 with fix qeq/comb");
 
-  if (strstr(update->integrate_style,"respa")) {
+  if (utils::strmatch(update->integrate_style,"^respa")) {
     ilevel_respa = ((Respa *) update->integrate)->nlevels-1;
     if (respa_level >= 0) ilevel_respa = MIN(respa_level,ilevel_respa);
   }

src/MC/fix_gcmc.cpp

@@ -46,9 +46,8 @@
 #include "thermo.h"
 #include "output.h"
 #include "neighbor.h"
-#include <iostream>
+#include "utils.h"
 
-using namespace std;
 using namespace LAMMPS_NS;
 using namespace FixConst;
 using namespace MathConst;
@@ -478,8 +477,8 @@ void FixGCMC::init()
     if ((force->kspace) ||
         (force->pair == NULL) ||
         (force->pair->single_enable == 0) ||
-        (force->pair_match("hybrid",0)) ||
+        (force->pair_match("^hybrid",0)) ||
-        (force->pair_match("eam",0)) ||
+        (force->pair_match("^eam",0)) ||
         (force->pair->tail_flag)
         ) {
       full_flag = true;

src/compute_group_group.cpp

@@ -33,6 +33,7 @@
 #include "comm.h"
 #include "domain.h"
 #include "math_const.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 using namespace MathConst;
@@ -124,7 +125,8 @@ void ComputeGroupGroup::init()
 
   if (pairflag && force->pair == NULL)
     error->all(FLERR,"No pair style defined for compute group/group");
-  if (force->pair_match("hybrid",0) == NULL && force->pair->single_enable == 0)
+  if (force->pair_match("^hybrid",0) == NULL
+      && force->pair->single_enable == 0)
     error->all(FLERR,"Pair style does not support compute group/group");
 
   // error if Kspace style does not compute group/group interactions

src/force.cpp

@@ -35,6 +35,7 @@
 #include "group.h"
 #include "memory.h"
 #include "error.h"
+#include "utils.h"
 
 using namespace LAMMPS_NS;
 
@@ -287,26 +288,13 @@ Pair *Force::pair_match(const char *word, int exact, int nsub)
   int iwhich,count;
 
   if (exact && strcmp(pair_style,word) == 0) return pair;
-  else if (!exact && strstr(pair_style,word)) return pair;
+  else if (!exact && utils::strmatch(pair_style,word)) return pair;
-
+  else if (utils::strmatch(pair_style,"^hybrid")) {
-  else if (strstr(pair_style,"hybrid/overlay")) {
-    PairHybridOverlay *hybrid = (PairHybridOverlay *) pair;
-    count = 0;
-    for (int i = 0; i < hybrid->nstyles; i++)
-      if ((exact && strcmp(hybrid->keywords[i],word) == 0) ||
-          (!exact && strstr(hybrid->keywords[i],word))) {
-        iwhich = i;
-        count++;
-        if (nsub == count) return hybrid->styles[iwhich];
-      }
-    if (count == 1) return hybrid->styles[iwhich];
-
-  } else if (strstr(pair_style,"hybrid")) {
     PairHybrid *hybrid = (PairHybrid *) pair;
     count = 0;
     for (int i = 0; i < hybrid->nstyles; i++)
       if ((exact && strcmp(hybrid->keywords[i],word) == 0) ||
-          (!exact && strstr(hybrid->keywords[i],word))) {
+          (!exact && utils::strmatch(hybrid->keywords[i],word))) {
         iwhich = i;
         count++;
         if (nsub == count) return hybrid->styles[iwhich];
@@ -327,7 +315,7 @@ char *Force::pair_match_ptr(Pair *ptr)
 {
   if (ptr == pair) return pair_style;
 
-  if (strstr(pair_style,"hybrid")) {
+  if (utils::strmatch(pair_style,"^hybrid")) {
     PairHybrid *hybrid = (PairHybrid *) pair;
     for (int i = 0; i < hybrid->nstyles; i++)
       if (ptr == hybrid->styles[i]) return hybrid->keywords[i];
@@ -741,7 +729,7 @@ KSpace *Force::kspace_creator(LAMMPS *lmp)
 KSpace *Force::kspace_match(const char *word, int exact)
 {
   if (exact && strcmp(kspace_style,word) == 0) return kspace;
-  else if (!exact && strstr(kspace_style,word)) return kspace;
+  else if (!exact && utils::strmatch(kspace_style,word)) return kspace;
   return NULL;
 }
 

src/pair.cpp

@@ -1619,7 +1619,7 @@ void Pair::write_file(int narg, char **arg)
   eamfp[0] = eamfp[1] = 0.0;
   double *eamfp_hold;
 
-  Pair *epair = force->pair_match("eam",0);
+  Pair *epair = force->pair_match("^eam",0);
   if (epair) epair->swap_eam(eamfp,&eamfp_hold);
 
   // if atom style defines charge, swap in dummy q vec