Use factory for angle style creation (35bdeb63) · Commits · 郑智淋 / lammps

src/force.cpp

+34 −25

Original line number	Diff line number	Diff line
		@@ -95,6 +95,15 @@ Force::Force(LAMMPS *lmp) : Pointers(lmp)
		#include "style_bond.h"
		#undef BondStyle
		#undef BOND_CLASS

		angle_map = new AngleCreatorMap();

		#define ANGLE_CLASS
		#define AngleStyle(key,Class) \
		(*angle_map)[#key] = &angle_creator<Class>;
		#include "style_angle.h"
		#undef AngleStyle
		#undef ANGLE_CLASS
		}

		/* ---------------------------------------------------------------------- */
		@@ -124,6 +133,7 @@ Force::~Force()

		delete pair_map;
		delete bond_map;
		delete angle_map;
		}

		/* ---------------------------------------------------------------------- */
		@@ -376,46 +386,45 @@ Angle Force::new_angle(const char style, int trysuffix, int &sflag)
		sflag = 1;
		char estyle[256];
		sprintf(estyle,"%s/%s",style,lmp->suffix);

		if (0) return NULL;

		#define ANGLE_CLASS
		#define AngleStyle(key,Class) \
		else if (strcmp(estyle,#key) == 0) return new Class(lmp);
		#include "style_angle.h"
		#undef AngleStyle
		#undef ANGLE_CLASS
		if (angle_map->find(estyle) != angle_map->end()) {
		AngleCreator angle_creator = (*angle_map)[estyle];
		return angle_creator(lmp);
		}
		}

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

		if (0) return NULL;

		#define ANGLE_CLASS
		#define AngleStyle(key,Class) \
		else if (strcmp(estyle,#key) == 0) return new Class(lmp);
		#include "style_angle.h"
		#undef AngleStyle
		#undef ANGLE_CLASS
		if (angle_map->find(estyle) != angle_map->end()) {
		AngleCreator angle_creator = (*angle_map)[estyle];
		return angle_creator(lmp);
		}
		}
		}

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

		#define ANGLE_CLASS
		#define AngleStyle(key,Class) \
		else if (strcmp(style,#key) == 0) return new Class(lmp);
		#include "style_angle.h"
		#undef ANGLE_CLASS

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

		/* ----------------------------------------------------------------------
		one instance per angle style in style_angle.h
		------------------------------------------------------------------------- */

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


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

src/force.h

+5 −0

Original line number	Diff line number	Diff line
		@@ -62,6 +62,10 @@ class Force : protected Pointers {
		class Angle *angle;
		char *angle_style;

		typedef Angle (AngleCreator)(LAMMPS *);
		typedef std::map<std::string,AngleCreator> AngleCreatorMap;
		AngleCreatorMap *angle_map;

		class Dihedral *dihedral;
		char *dihedral_style;

		@@ -127,6 +131,7 @@ class Force : protected Pointers {
		private:
		template <typename T> static Pair pair_creator(LAMMPS );
		template <typename T> static Bond bond_creator(LAMMPS );
		template <typename T> static Angle angle_creator(LAMMPS );
		};

		}

src/info.cpp

+5 −4

Original line number	Diff line number	Diff line
		@@ -635,10 +635,11 @@ void Info::angle_styles(FILE * out)
		fprintf(out, "\nAngle styles:\n");

		vector<string> styles;
		#define ANGLE_CLASS
		#define AngleStyle(key,Class) styles.push_back(#key);
		#include "style_angle.h"
		#undef ANGLE_CLASS

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

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

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