Use factory for AtomVec style creation (a1e5fc0f) · Commits · 郑智淋 / lammps

src/atom.cpp

+33 −26

Original line number	Diff line number	Diff line
		@@ -210,6 +210,15 @@ Atom::Atom(LAMMPS *lmp) : Pointers(lmp)

		datamask = ALL_MASK;
		datamask_ext = ALL_MASK;

		avec_map = new AtomVecCreatorMap();

		#define ATOM_CLASS
		#define AtomStyle(key,Class) \
		(*avec_map)[#key] = &avec_creator<Class>;
		#include "style_atom.h"
		#undef AtomStyle
		#undef ATOM_CLASS
		}

		/* ---------------------------------------------------------------------- */
		@@ -218,6 +227,7 @@ Atom::~Atom()
		{
		delete [] atom_style;
		delete avec;
		delete avec_map;

		delete [] firstgroupname;
		memory->destroy(binhead);
		@@ -445,46 +455,43 @@ AtomVec Atom::new_avec(const char style, int trysuffix, int &sflag)
		sflag = 1;
		char estyle[256];
		sprintf(estyle,"%s/%s",style,lmp->suffix);

		if (0) return NULL;

		#define ATOM_CLASS
		#define AtomStyle(key,Class) \
		else if (strcmp(estyle,#key) == 0) return new Class(lmp);
		#include "style_atom.h"
		#undef AtomStyle
		#undef ATOM_CLASS
		if (avec_map->find(estyle) != avec_map->end()) {
		AtomVecCreator avec_creator = (*avec_map)[estyle];
		return avec_creator(lmp);
		}
		}

		if (lmp->suffix2) {
		sflag = 2;
		char estyle[256];
		sprintf(estyle,"%s/%s",style,lmp->suffix2);

		if (0) return NULL;

		#define ATOM_CLASS
		#define AtomStyle(key,Class) \
		else if (strcmp(estyle,#key) == 0) return new Class(lmp);
		#include "style_atom.h"
		#undef AtomStyle
		#undef ATOM_CLASS
		if (avec_map->find(estyle) != avec_map->end()) {
		AtomVecCreator avec_creator = (*avec_map)[estyle];
		return avec_creator(lmp);
		}
		}
		}

		sflag = 0;
		if (0) return NULL;

		#define ATOM_CLASS
		#define AtomStyle(key,Class) \
		else if (strcmp(style,#key) == 0) return new Class(lmp);
		#include "style_atom.h"
		#undef ATOM_CLASS
		if (avec_map->find(style) != avec_map->end()) {
		AtomVecCreator avec_creator = (*avec_map)[style];
		return avec_creator(lmp);
		}

		else error->all(FLERR,"Unknown atom style");
		error->all(FLERR,"Unknown atom style");
		return NULL;
		}

		/* ----------------------------------------------------------------------
		one instance per AtomVec style in style_atom.h
		------------------------------------------------------------------------- */

		template <typename T>
		AtomVec Atom::avec_creator(LAMMPS lmp)
		{
		return new T(lmp);
		}

		/* ---------------------------------------------------------------------- */

		void Atom::init()

src/atom.h

+11 −0

Original line number	Diff line number	Diff line
		@@ -15,6 +15,8 @@
		#define LMP_ATOM_H

		#include "pointers.h"
		#include <map>
		#include <string>

		namespace LAMMPS_NS {

		@@ -197,6 +199,12 @@ class Atom : protected Pointers {

		int *sametag; // sametag[I] = next atom with same ID, -1 if no more

		// AtomVec factory types and map

		typedef AtomVec (AtomVecCreator)(LAMMPS *);
		typedef std::map<std::string,AtomVecCreator> AtomVecCreatorMap;
		AtomVecCreatorMap *avec_map;

		// functions

		Atom(class LAMMPS *);
		@@ -322,6 +330,9 @@ class Atom : protected Pointers {

		void setup_sort_bins();
		int next_prime(int);

		private:
		template <typename T> static AtomVec avec_creator(LAMMPS );
		};

		}

src/info.cpp

+5 −4

Original line number	Diff line number	Diff line
		@@ -568,10 +568,11 @@ void Info::atom_styles(FILE * out)
		fprintf(out, "\nAtom styles:\n");

		vector<string> styles;
		#define ATOM_CLASS
		#define AtomStyle(key,Class) styles.push_back(#key);
		#include "style_atom.h"
		#undef ATOM_CLASS

		for(Atom::AtomVecCreatorMap::iterator it = atom->avec_map->begin(); it != atom->avec_map->end(); ++it) {
		styles.push_back(it->first);
		}

		print_columns(out, styles);
		fprintf(out, "\n\n\n");
		}

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