take advantage of having the common Command base class to unify code paths

doc/src/Developer_plugins.rst

@@ -59,31 +59,25 @@ Members of ``lammpsplugin_t``
    * - author
      - String with the name and email of the author
    * - creator.v1
-     - Pointer to factory function for pair, bond, angle, dihedral, or improper styles
+     - Pointer to factory function for pair, bond, angle, dihedral, improper or command styles
    * - creator.v2
      - Pointer to factory function for compute, fix, or region styles
-   * - creator.v3
-     - Pointer to factory function for command styles
    * - handle
      - Pointer to the open DSO file handle
 
 Only one of the three alternate creator entries can be used at a time
-and which of those is determined by the style of plugin. The "creator.v1"
+and which of those is determined by the style of plugin. The
-element is for factory functions of supported styles computing forces (i.e.
+"creator.v1" element is for factory functions of supported styles
-pair, bond, angle, dihedral, or improper styles) and the function takes
+computing forces (i.e.  command, pair, bond, angle, dihedral, or
-as single argument the pointer to the LAMMPS instance. The factory function
+improper styles) and the function takes as single argument the pointer
-is cast to the ``lammpsplugin_factory1`` type before assignment.  The
+to the LAMMPS instance. The factory function is cast to the
-"creator.v2" element is for factory functions creating an instance of
+``lammpsplugin_factory1`` type before assignment.  The "creator.v2"
-a fix, compute, or region style and takes three arguments: a pointer to
+element is for factory functions creating an instance of a fix, compute,
-the LAMMPS instance, an integer with the length of the argument list and
+or region style and takes three arguments: a pointer to the LAMMPS
-a ``char **`` pointer to the list of arguments. The factory function pointer
+instance, an integer with the length of the argument list and a ``char
-needs to be cast to the ``lammpsplugin_factory2`` type before assignment.
+**`` pointer to the list of arguments. The factory function pointer
-The "creator.v3" element takes the same arguments as "creator.v3" but is
+needs to be cast to the ``lammpsplugin_factory2`` type before
-specific to creating command styles: the factory function has to instantiate
+assignment.
-the command style locally passing the LAMMPS pointer as argument and then
-call its "command" member function with the number and list of arguments.
-The factory function pointer needs to be cast to the
-``lammpsplugin_factory3`` type before assignment.
 
 Pair style example
 ^^^^^^^^^^^^^^^^^^
@@ -123,12 +117,12 @@ function would look like this:
 
 The factory function in this example is called ``morse2creator()``.  It
 receives a pointer to the LAMMPS class as only argument and thus has to
-be assigned to the *creator.v1* member of the plugin struct and cast to the
+be assigned to the *creator.v1* member of the plugin struct and cast to
-``lammpsplugin_factory1`` pointer type.  It returns a
+the ``lammpsplugin_factory1`` function pointer type.  It returns a
 pointer to the allocated class instance derived from the ``Pair`` class.
-This function may be declared static to avoid clashes with other plugins.
+This function may be declared static to avoid clashes with other
-The name of the derived class, ``PairMorse2``, must be unique inside
+plugins.  The name of the derived class, ``PairMorse2``, however must be
-the entire LAMMPS executable.
+unique inside the entire LAMMPS executable.
 
 Fix style example
 ^^^^^^^^^^^^^^^^^
@@ -169,9 +163,9 @@ Below is an example for that:
 
 Command style example
 ^^^^^^^^^^^^^^^^^^^^^
-For command styles there is a third variant of factory function as
+Command styles also use the first variant of factory function as
 demonstrated in the following example, which also shows that the
-implementation of the plugin class may also be within the same
+implementation of the plugin class may be within the same source
 file as the plugin interface code:
 
 .. code-block:: C++
@@ -180,15 +174,15 @@ file as the plugin interface code:
 
    #include "comm.h"
    #include "error.h"
-   #include "pointers.h"
+   #include "command.h"
    #include "version.h"
 
    #include <cstring>
 
    namespace LAMMPS_NS {
-     class Hello : protected Pointers {
+     class Hello : public Command {
       public:
-       Hello(class LAMMPS *lmp) : Pointers(lmp) {};
+       Hello(class LAMMPS *lmp) : Command(lmp) {};
        void command(int, char **);
      };
    }
@@ -202,10 +196,9 @@ file as the plugin interface code:
         utils::logmesg(lmp,fmt::format("Hello, {}!\n",argv[0]));
    }
 
-   static void hellocreator(LAMMPS *lmp, int argc, char **argv)
+   static void hellocreator(LAMMPS *lmp)
    {
-     Hello hello(lmp);
+     return new Hello(lmp);
-     hello.command(argc,argv);
    }
 
    extern "C" void lammpsplugin_init(void *lmp, void *handle, void *regfunc)
@@ -216,9 +209,9 @@ file as the plugin interface code:
      plugin.version = LAMMPS_VERSION;
      plugin.style   = "command";
      plugin.name    = "hello";
-     plugin.info    = "Hello world command v1.0";
+     plugin.info    = "Hello world command v1.1";
      plugin.author  = "Axel Kohlmeyer (akohlmey@gmail.com)";
-     plugin.creator.v3 = (lammpsplugin_factory3 *) &hellocreator;
+     plugin.creator.v1 = (lammpsplugin_factory1 *) &hellocreator;
      plugin.handle  = handle;
      (*register_plugin)(&plugin,lmp);
    }

examples/plugins/helloplugin.cpp

@@ -9,7 +9,7 @@
 #include <cstring>
 
 namespace LAMMPS_NS {
-  class Hello : protected Command {
+  class Hello : public Command {
     public:
       Hello(class LAMMPS *lmp) : Command(lmp) {};
       void command(int, char **);
@@ -25,10 +25,9 @@ void Hello::command(int argc, char **argv)
      utils::logmesg(lmp,fmt::format("Hello, {}!\n",argv[0]));
 }
 
-static void hellocreator(LAMMPS *lmp, int argc, char **argv)
+static Command *hellocreator(LAMMPS *lmp)
 {
-    Hello hello(lmp);
+    return new Hello(lmp);
-    hello.command(argc,argv);
 }
 
 extern "C" void lammpsplugin_init(void *lmp, void *handle, void *regfunc)
@@ -39,9 +38,9 @@ extern "C" void lammpsplugin_init(void *lmp, void *handle, void *regfunc)
   plugin.version = LAMMPS_VERSION;
   plugin.style   = "command";
   plugin.name    = "hello";
-  plugin.info    = "Hello world command v1.0";
+  plugin.info    = "Hello world command v1.1";
   plugin.author  = "Axel Kohlmeyer (akohlmey@gmail.com)";
-  plugin.creator.v3 = (lammpsplugin_factory3 *) &hellocreator;
+  plugin.creator.v1 = (lammpsplugin_factory1 *) &hellocreator;
   plugin.handle  = handle;
   (*register_plugin)(&plugin,lmp);
 }

src/KIM/kim_command.h

@@ -66,7 +66,7 @@ CommandStyle(kim,KimCommand)
 
 namespace LAMMPS_NS {
 
-class KimCommand : protected Command {
+class KimCommand : public Command {
  public:
   KimCommand(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/MESSAGE/message.h

@@ -24,7 +24,7 @@ CommandStyle(message,Message)
 
 namespace LAMMPS_NS {
 
-class Message : protected Command {
+class Message : public Command {
  public:
   Message(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/MESSAGE/server.h

@@ -24,7 +24,7 @@ CommandStyle(server,Server)
 
 namespace LAMMPS_NS {
 
-class Server : protected Command {
+class Server : public Command {
  public:
   Server(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/PLUGIN/plugin.cpp

@@ -257,7 +257,7 @@ namespace LAMMPS_NS
                                                 "style {} from plugin",
                                                 plugin->name));
       }
-      (*command_map)[plugin->name] = (Input::CommandCreator)plugin->creator.v3;
+      (*command_map)[plugin->name] = (Input::CommandCreator)plugin->creator.v1;
 
     } else {
       utils::logmesg(lmp,fmt::format("Loading plugin for {} styles not "

src/PLUGIN/plugin.h

@@ -26,7 +26,7 @@ CommandStyle(plugin,Plugin)
 namespace LAMMPS_NS
 {
 
-  class Plugin : protected Command {
+  class Plugin : public Command {
   public:
     Plugin(class LAMMPS *);
     void command(int, char **);

src/REPLICA/hyper.h

@@ -24,7 +24,7 @@ CommandStyle(hyper,Hyper)
 
 namespace LAMMPS_NS {
 
-class Hyper : protected Command {
+class Hyper : public Command {
  public:
   Hyper(class LAMMPS *);
   ~Hyper() {}

src/REPLICA/neb.h

@@ -24,7 +24,7 @@ CommandStyle(neb,NEB)
 
 namespace LAMMPS_NS {
 
-class NEB : protected Command {
+class NEB : public Command {
  public:
   NEB(class LAMMPS *);
   NEB(class LAMMPS *, double, double, int, int, int, double *, double *);

src/REPLICA/prd.h

@@ -24,7 +24,7 @@ CommandStyle(prd,PRD)
 
 namespace LAMMPS_NS {
 
-class PRD : protected Command {
+class PRD : public Command {
  public:
   PRD(class LAMMPS *);
   ~PRD() {}

src/REPLICA/tad.h

@@ -24,7 +24,7 @@ CommandStyle(tad,TAD)
 
 namespace LAMMPS_NS {
 
-class TAD : protected Command {
+class TAD : public Command {
  public:
   TAD(class LAMMPS *);
   ~TAD();

src/REPLICA/temper.h

@@ -24,7 +24,7 @@ CommandStyle(temper,Temper)
 
 namespace LAMMPS_NS {
 
-class Temper : protected Command {
+class Temper : public Command {
  public:
   Temper(class LAMMPS *);
   ~Temper();

src/SPIN/neb_spin.h

@@ -24,7 +24,7 @@ CommandStyle(neb/spin,NEBSpin)
 
 namespace LAMMPS_NS {
 
-class NEBSpin : protected Command {
+class NEBSpin : public Command {
  public:
   NEBSpin(class LAMMPS *);
   ~NEBSpin();

src/USER-COLVARS/group_ndx.h

@@ -26,7 +26,7 @@ CommandStyle(group2ndx,Group2Ndx)
 
 namespace LAMMPS_NS {
 
-class Group2Ndx : protected Command {
+class Group2Ndx : public Command {
  public:
   Group2Ndx(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/USER-COLVARS/ndx_group.h

@@ -27,7 +27,7 @@ CommandStyle(ndx2group,Ndx2Group)
 
 namespace LAMMPS_NS {
 
-class Ndx2Group : protected Command {
+class Ndx2Group : public Command {
  public:
   Ndx2Group(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/USER-MISC/temper_grem.h

@@ -24,7 +24,7 @@ CommandStyle(temper/grem,TemperGrem)
 
 namespace LAMMPS_NS {
 
-class TemperGrem : protected Command {
+class TemperGrem : public Command {
  public:
   TemperGrem(class LAMMPS *);
   ~TemperGrem();

src/USER-MISC/temper_npt.h

@@ -25,7 +25,7 @@ CommandStyle(temper/npt,TemperNPT)
 
 namespace LAMMPS_NS {
 
-class TemperNPT : protected Command {
+class TemperNPT : public Command {
  public:
   TemperNPT(class LAMMPS *);
   ~TemperNPT();

src/USER-PHONON/dynamical_matrix.h

@@ -15,7 +15,7 @@ CommandStyle(dynamical_matrix,DynamicalMatrix)
 
 namespace LAMMPS_NS {
 
-class DynamicalMatrix : protected Command {
+class DynamicalMatrix : public Command {
  public:
   DynamicalMatrix(class LAMMPS *);
   virtual ~DynamicalMatrix();

src/USER-PHONON/third_order.h

@@ -16,7 +16,7 @@ CommandStyle(third_order,ThirdOrder)
 
 namespace LAMMPS_NS {
 
-  class ThirdOrder : protected Command {
+  class ThirdOrder : public Command {
    public:
     ThirdOrder(class LAMMPS *);
     virtual ~ThirdOrder();

src/balance.h

@@ -24,7 +24,7 @@ CommandStyle(balance,Balance)
 
 namespace LAMMPS_NS {
 
-class Balance : protected Command {
+class Balance : public Command {
  public:
   class RCB *rcb;
   class FixStore *fixstore;       // per-atom weights stored in FixStore

src/change_box.h

@@ -24,7 +24,7 @@ CommandStyle(change_box,ChangeBox)
 
 namespace LAMMPS_NS {
 
-class ChangeBox : protected Command {
+class ChangeBox : public Command {
  public:
   ChangeBox(class LAMMPS *);
   void command(int, char **);

src/create_atoms.h

@@ -24,7 +24,7 @@ CommandStyle(create_atoms,CreateAtoms)
 
 namespace LAMMPS_NS {
 
-class CreateAtoms : protected Command {
+class CreateAtoms : public Command {
  public:
   CreateAtoms(class LAMMPS *);
   void command(int, char **);

src/create_bonds.h

@@ -24,7 +24,7 @@ CommandStyle(create_bonds,CreateBonds)
 
 namespace LAMMPS_NS {
 
-class CreateBonds : protected Command {
+class CreateBonds : public Command {
  public:
   CreateBonds(class LAMMPS *);
   void command(int, char **);

src/create_box.h

@@ -24,7 +24,7 @@ CommandStyle(create_box,CreateBox)
 
 namespace LAMMPS_NS {
 
-class CreateBox : protected Command {
+class CreateBox : public Command {
  public:
   CreateBox(class LAMMPS *);
   void command(int, char **);

src/delete_atoms.h

@@ -25,7 +25,7 @@ CommandStyle(delete_atoms,DeleteAtoms)
 
 namespace LAMMPS_NS {
 
-class DeleteAtoms : protected Command {
+class DeleteAtoms : public Command {
  public:
   DeleteAtoms(class LAMMPS *);
   void command(int, char **);

src/delete_bonds.h

@@ -24,7 +24,7 @@ CommandStyle(delete_bonds,DeleteBonds)
 
 namespace LAMMPS_NS {
 
-class DeleteBonds : protected Command {
+class DeleteBonds : public Command {
  public:
   DeleteBonds(class LAMMPS *);
   void command(int, char **);

src/deprecated.h

@@ -30,7 +30,7 @@ CommandStyle(kim_query,Deprecated)
 
 namespace LAMMPS_NS {
 
-class Deprecated : protected Command {
+class Deprecated : public Command {
  public:
   Deprecated(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/displace_atoms.h

@@ -24,7 +24,7 @@ CommandStyle(displace_atoms,DisplaceAtoms)
 
 namespace LAMMPS_NS {
 
-class DisplaceAtoms : protected Command {
+class DisplaceAtoms : public Command {
  public:
   DisplaceAtoms(class LAMMPS *);
   ~DisplaceAtoms();

src/info.h

@@ -26,7 +26,7 @@ CommandStyle(info,Info)
 
 namespace LAMMPS_NS {
 
-class Info : protected Command {
+class Info : public Command {
  public:
   Info(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/input.cpp

@@ -21,6 +21,7 @@
 #include "comm.h"
 #include "comm_brick.h"
 #include "comm_tiled.h"
+#include "command.h"
 #include "compute.h"
 #include "dihedral.h"
 #include "domain.h"
@@ -82,7 +83,7 @@ command line flags, holds the factory of commands and creates and
 initializes an instance of the Variable class.
 
 To execute a command, a specific class instance, derived from
-:cpp:class:`Pointers`, is created, then its ``command()`` member
+:cpp:class:`Command`, is created, then its ``command()`` member
 function executed, and finally the class instance is deleted.
 
 \endverbatim
@@ -789,7 +790,8 @@ int Input::execute_command()
 
   if (command_map->find(command) != command_map->end()) {
     CommandCreator &command_creator = (*command_map)[command];
-    command_creator(lmp,narg,arg);
+    Command *cmd = command_creator(lmp);
+    cmd->command(narg,arg);
     return 0;
   }
 
@@ -803,10 +805,9 @@ int Input::execute_command()
 ------------------------------------------------------------------------- */
 
 template <typename T>
-void Input::command_creator(LAMMPS *lmp, int narg, char **arg)
+Command *Input::command_creator(LAMMPS *lmp)
 {
-  T cmd(lmp);
+  return new T(lmp);
-  cmd.command(narg,arg);
 }
 
 /* ---------------------------------------------------------------------- */

src/input.h

@@ -19,6 +19,7 @@
 #include <map>
 
 namespace LAMMPS_NS {
+  class Command;
 
 class Input : protected Pointers {
   friend class Info;
@@ -59,12 +60,12 @@ class Input : protected Pointers {
   FILE **infiles;              // list of open input files
 
  public:
-  typedef void (*CommandCreator)(LAMMPS *, int, char **);
+  typedef Command * (*CommandCreator)(LAMMPS *);
   typedef std::map<std::string,CommandCreator> CommandCreatorMap;
   CommandCreatorMap *command_map;
 
  protected:
-  template <typename T> static void command_creator(LAMMPS *, int, char **);
+  template <typename T> static Command *command_creator(LAMMPS *);
 
  private:
   void parse();                          // parse an input text line

src/lammpsplugin.h

@@ -20,7 +20,6 @@ extern "C" {
 
   typedef void *(lammpsplugin_factory1)(void *);
   typedef void *(lammpsplugin_factory2)(void *, int, char **);
-  typedef void (lammpsplugin_factory3)(void *, int, char **);
 
   typedef struct {
     const char *version;
@@ -31,7 +30,6 @@ extern "C" {
     union {
       lammpsplugin_factory1 *v1;
       lammpsplugin_factory2 *v2;
-      lammpsplugin_factory3 *v3;
     } creator;
     void *handle;
   } lammpsplugin_t;

src/minimize.h

@@ -24,7 +24,7 @@ CommandStyle(minimize,Minimize)
 
 namespace LAMMPS_NS {
 
-class Minimize : protected Command {
+class Minimize : public Command {
  public:
   Minimize(class LAMMPS *);
   void command(int, char **);

src/read_data.h

@@ -24,7 +24,7 @@ CommandStyle(read_data,ReadData)
 
 namespace LAMMPS_NS {
 
-class ReadData : protected Command {
+class ReadData : public Command {
  public:
   ReadData(class LAMMPS *);
   ~ReadData();

src/read_dump.h

@@ -26,7 +26,7 @@ CommandStyle(read_dump,ReadDump)
 
 namespace LAMMPS_NS {
 
-class ReadDump : protected Command {
+class ReadDump : public Command {
  public:
   ReadDump(class LAMMPS *);
   ~ReadDump();

src/read_restart.h

@@ -24,7 +24,7 @@ CommandStyle(read_restart,ReadRestart)
 
 namespace LAMMPS_NS {
 
-class ReadRestart : protected Command {
+class ReadRestart : public Command {
  public:
   ReadRestart(class LAMMPS *);
   void command(int, char **);

src/replicate.h

@@ -24,7 +24,7 @@ CommandStyle(replicate,Replicate)
 
 namespace LAMMPS_NS {
 
-class Replicate : protected Command {
+class Replicate : public Command {
  public:
   Replicate(class LAMMPS *);
   void command(int, char **);

src/rerun.h

@@ -24,7 +24,7 @@ CommandStyle(rerun,Rerun)
 
 namespace LAMMPS_NS {
 
-class Rerun : protected Command {
+class Rerun : public Command {
  public:
   Rerun(class LAMMPS *);
   void command(int, char **);

src/reset_atom_ids.h

@@ -24,7 +24,7 @@ CommandStyle(reset_atom_ids,ResetIDs)
 
 namespace LAMMPS_NS {
 
-class ResetIDs : protected Command {
+class ResetIDs : public Command {
  public:
   struct AtomRvous {
     bigint ibin;

src/reset_mol_ids.h

@@ -24,7 +24,7 @@ CommandStyle(reset_mol_ids,ResetMolIDs)
 
 namespace LAMMPS_NS {
 
-class ResetMolIDs : protected Command {
+class ResetMolIDs : public Command {
  public:
   ResetMolIDs(class LAMMPS *);
   ~ResetMolIDs();

src/run.h

@@ -24,7 +24,7 @@ CommandStyle(run,Run)
 
 namespace LAMMPS_NS {
 
-class Run : protected Command {
+class Run : public Command {
  public:
   Run(class LAMMPS *);
   void command(int, char **);

src/set.h

@@ -24,7 +24,7 @@ CommandStyle(set,Set)
 
 namespace LAMMPS_NS {
 
-class Set : protected Command {
+class Set : public Command {
  public:
   Set(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/velocity.h

@@ -24,7 +24,7 @@ CommandStyle(velocity,Velocity)
 
 namespace LAMMPS_NS {
 
-class Velocity : protected Command {
+class Velocity : public Command {
  public:
   Velocity(class LAMMPS *);
   void command(int, char **);

src/write_coeff.h

@@ -24,7 +24,7 @@ CommandStyle(write_coeff,WriteCoeff)
 
 namespace LAMMPS_NS {
 
-class WriteCoeff : protected Command {
+class WriteCoeff : public Command {
  public:
   WriteCoeff(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/write_data.h

@@ -24,7 +24,7 @@ CommandStyle(write_data,WriteData)
 
 namespace LAMMPS_NS {
 
-class WriteData : protected Command {
+class WriteData : public Command {
  public:
   WriteData(class LAMMPS *);
   void command(int, char **);

src/write_dump.h

@@ -24,7 +24,7 @@ CommandStyle(write_dump,WriteDump)
 
 namespace LAMMPS_NS {
 
-class WriteDump : protected Command {
+class WriteDump : public Command {
  public:
   WriteDump(class LAMMPS *lmp) : Command(lmp) {};
   void command(int, char **);

src/write_restart.h

@@ -24,7 +24,7 @@ CommandStyle(write_restart,WriteRestart)
 
 namespace LAMMPS_NS {
 
-class WriteRestart : protected Command {
+class WriteRestart : public Command {
  public:
   WriteRestart(class LAMMPS *);
   void command(int, char **);