Use factory for bond style creation (69c58ef0) · Commits · 郑智淋 / lammps

src/force.cpp

+33 −25

Original line number	Diff line number	Diff line
		@@ -86,6 +86,15 @@ Force::Force(LAMMPS *lmp) : Pointers(lmp)
		#include "style_pair.h"
		#undef PairStyle
		#undef PAIR_CLASS

		bond_map = new BondCreatorMap();

		#define BOND_CLASS
		#define BondStyle(key,Class) \
		(*bond_map)[#key] = &bond_creator<Class>;
		#include "style_bond.h"
		#undef BondStyle
		#undef BOND_CLASS
		}

		/* ---------------------------------------------------------------------- */
		@@ -114,6 +123,7 @@ Force::~Force()
		kspace = NULL;

		delete pair_map;
		delete bond_map;
		}

		/* ---------------------------------------------------------------------- */
		@@ -288,46 +298,44 @@ Bond Force::new_bond(const char style, int trysuffix, int &sflag)
		sflag = 1;
		char estyle[256];
		sprintf(estyle,"%s/%s",style,lmp->suffix);

		if (0) return NULL;

		#define BOND_CLASS
		#define BondStyle(key,Class) \
		else if (strcmp(estyle,#key) == 0) return new Class(lmp);
		#include "style_bond.h"
		#undef BondStyle
		#undef BOND_CLASS
		if (bond_map->find(estyle) != bond_map->end()) {
		BondCreator bond_creator = (*bond_map)[estyle];
		return bond_creator(lmp);
		}
		}

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

		if (0) return NULL;

		#define BOND_CLASS
		#define BondStyle(key,Class) \
		else if (strcmp(estyle,#key) == 0) return new Class(lmp);
		#include "style_bond.h"
		#undef BondStyle
		#undef BOND_CLASS
		if (bond_map->find(estyle) != bond_map->end()) {
		BondCreator bond_creator = (*bond_map)[estyle];
		return bond_creator(lmp);
		}
		}
		}

		sflag = 0;
		if (strcmp(style,"none") == 0) return NULL;
		if (bond_map->find(style) != bond_map->end()) {
		BondCreator bond_creator = (*bond_map)[style];
		return bond_creator(lmp);
		}

		#define BOND_CLASS
		#define BondStyle(key,Class) \
		else if (strcmp(style,#key) == 0) return new Class(lmp);
		#include "style_bond.h"
		#undef BOND_CLASS

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

		/* ----------------------------------------------------------------------
		one instance per bond style in style_bond.h
		------------------------------------------------------------------------- */

		template <typename T>
		Bond Force::bond_creator(LAMMPS lmp)
		{
		return new T(lmp);
		}

		/* ----------------------------------------------------------------------
		return ptr to current bond class or hybrid sub-class if matches style
		------------------------------------------------------------------------- */

src/force.h

+5 −0

Original line number	Diff line number	Diff line
		@@ -55,6 +55,10 @@ class Force : protected Pointers {
		class Bond *bond;
		char *bond_style;

		typedef Bond (BondCreator)(LAMMPS *);
		typedef std::map<std::string,BondCreator> BondCreatorMap;
		BondCreatorMap *bond_map;

		class Angle *angle;
		char *angle_style;

		@@ -122,6 +126,7 @@ class Force : protected Pointers {

		private:
		template <typename T> static Pair pair_creator(LAMMPS );
		template <typename T> static Bond bond_creator(LAMMPS );
		};

		}

src/info.cpp

+5 −4

Original line number	Diff line number	Diff line
		@@ -621,10 +621,11 @@ void Info::bond_styles(FILE * out)
		fprintf(out, "\nBond styles:\n");

		vector<string> styles;
		#define BOND_CLASS
		#define BondStyle(key,Class) styles.push_back(#key);
		#include "style_bond.h"
		#undef BOND_CLASS

		for(Force::BondCreatorMap::iterator it = force->bond_map->begin(); it != force->bond_map->end(); ++it) {
		styles.push_back(it->first);
		}

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

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