add expansions of IDs and references to IDs

tools/lammps-shell/lammps-shell.cpp

@@ -52,6 +52,9 @@ const char *lmp_style[] = {"atom",    "integrate", "minimize", "pair",   "bond",
                            "angle",   "dihedral",  "improper", "kspace", "fix",
                            "compute", "region",    "dump"};
 
+enum { COMPUTE_ID, DUMP_ID, FIX_ID, MOLECULE_ID, REGION_ID, VARIABLE_ID };
+const char *lmp_id[] = {"compute", "dump", "fix", "molecule", "region", "variable"};
+
 std::vector<std::string> commands;
 
 // this list of commands is generated by:
@@ -152,6 +155,46 @@ template <int STYLE> char *style_generator(const char *text, int state)
     return nullptr;
 }
 
+template <int ID> char *id_generator(const char *text, int state)
+{
+    static int idx, num, len;
+    if (!state) {
+        idx = 0;
+        num = lammps_id_count(lmp, lmp_id[ID]);
+        len = strlen(text);
+    }
+
+    while (idx < num) {
+        lammps_id_name(lmp, lmp_id[ID], idx, buf, buflen);
+        ++idx;
+        if ((len == 0) || (strncmp(text, buf, len) == 0)) return dupstring(buf);
+    }
+    return nullptr;
+}
+
+template <int ID, char PREFIX> char *ref_generator(const char *text, int state)
+{
+    char prefix[] = "X_";
+    prefix[0]     = PREFIX;
+
+    if (strncmp(text, prefix, 2) == 0) {
+        char *id  = id_generator<ID>(text + 2, state);
+        char *ref = nullptr;
+        if (id) {
+            ref = (char *)malloc(strlen(id) + 3);
+            if (ref) {
+                ref[0] = PREFIX;
+                ref[1] = '_';
+                ref[2] = 0;
+                strcat(ref, id);
+            }
+            free(id);
+        }
+        return ref;
+    }
+    return nullptr;
+}
+
 extern "C" {
 static char *cmd_generator(const char *text, int state)
 {
@@ -168,6 +211,57 @@ static char *cmd_generator(const char *text, int state)
     return nullptr;
 }
 
+static char *compute_id_generator(const char *text, int state)
+{
+    return id_generator<COMPUTE_ID>(text, state);
+}
+
+static char *compute_ref_generator(const char *text, int state)
+{
+    return ref_generator<COMPUTE_ID, 'c'>(text, state);
+}
+
+static char *dump_id_generator(const char *text, int state)
+{
+    return id_generator<DUMP_ID>(text, state);
+}
+
+static char *fix_id_generator(const char *text, int state)
+{
+    return id_generator<FIX_ID>(text, state);
+}
+
+static char *fix_ref_generator(const char *text, int state)
+{
+    return ref_generator<FIX_ID, 'f'>(text, state);
+}
+
+static char *variable_ref_generator(const char *text, int state)
+{
+    return ref_generator<VARIABLE_ID, 'v'>(text, state);
+}
+
+static char *variable_expand_generator(const char *text, int state)
+{
+    if (strncmp(text, "${", 2) == 0) {
+        char *id  = id_generator<VARIABLE_ID>(text + 2, state);
+        char *ref = nullptr;
+        if (id) {
+            ref = (char *)malloc(strlen(id) + 4);
+            if (ref) {
+                ref[0] = '$';
+                ref[1] = '{';
+                ref[2] = 0;
+                strcat(ref, id);
+                strcat(ref, "}");
+            }
+            free(id);
+        }
+        return ref;
+    }
+    return nullptr;
+}
+
 static char *atom_generator(const char *text, int state)
 {
     return style_generator<ATOM_STYLE>(text, state);
@@ -262,10 +356,18 @@ static char **cmd_completion(const char *text, int start, int)
         matches = rl_completion_matches(text, cmd_generator);
     } else {
         // try to provide context specific matches
-        // first split the already completed text
+        // first split the already completed text into words for position specific expansion
         auto words = utils::split_words(std::string(rl_line_buffer).substr(0, start));
 
-        if (words.size() == 1) { // expand second word
+        if (strncmp(text, "c_", 2) == 0) { // expand references to computes or fixes
+            matches = rl_completion_matches(text, compute_ref_generator);
+        } else if (strncmp(text, "f_", 2) == 0) {
+            matches = rl_completion_matches(text, fix_ref_generator);
+        } else if (strncmp(text, "v_", 2) == 0) {
+            matches = rl_completion_matches(text, variable_ref_generator);
+        } else if (strncmp(text, "${", 2) == 0) {
+            matches = rl_completion_matches(text, variable_expand_generator);
+        } else if (words.size() == 1) { // expand second word
             if (words[0] == "atom_style") {
                 matches = rl_completion_matches(text, atom_generator);
             } else if (words[0] == "pair_style") {
@@ -284,6 +386,12 @@ static char **cmd_completion(const char *text, int start, int)
                 matches = rl_completion_matches(text, integrate_generator);
             } else if (words[0] == "min_style") {
                 matches = rl_completion_matches(text, minimize_generator);
+            } else if (words[0] == "compute_modify") {
+                matches = rl_completion_matches(text, compute_id_generator);
+            } else if (words[0] == "dump_modify") {
+                matches = rl_completion_matches(text, dump_id_generator);
+            } else if (words[0] == "fix_modify") {
+                matches = rl_completion_matches(text, fix_id_generator);
             }
         } else if (words.size() == 2) { // expand third word
 
@@ -431,6 +539,7 @@ int main(int argc, char **argv)
     char *line;
     std::string trimmed;
 
+    std::cout << "LAMMPS Shell version 1.0\n";
     lmp = lammps_open_no_mpi(argc, argv, nullptr);
     if (lmp == nullptr) return 1;