Use factory for minimize style creation (9952d8a2) · Commits · 郑智淋 / lammps

src/info.cpp

+5 −4

Original line number	Diff line number	Diff line
		@@ -596,10 +596,11 @@ void Info::minimize_styles(FILE * out)
		fprintf(out, "\nMinimize styles:\n");

		vector<string> styles;
		#define MINIMIZE_CLASS
		#define MinimizeStyle(key,Class) styles.push_back(#key);
		#include "style_minimize.h"
		#undef MINIMIZE_CLASS

		for(Update::MinimizeCreatorMap::iterator it = update->minimize_map->begin(); it != update->minimize_map->end(); ++it) {
		styles.push_back(it->first);
		}

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

src/update.cpp

+24 −8

Original line number	Diff line number	Diff line
		@@ -70,6 +70,15 @@ Update::Update(LAMMPS *lmp) : Pointers(lmp)
		#undef IntegrateStyle
		#undef INTEGRATE_CLASS

		minimize_map = new MinimizeCreatorMap();

		#define MINIMIZE_CLASS
		#define MinimizeStyle(key,Class) \
		(*minimize_map)[#key] = &minimize_creator<Class>;
		#include "style_minimize.h"
		#undef MinimizeStyle
		#undef MINIMIZE_CLASS

		str = (char *) "verlet";
		create_integrate(1,&str,1);

		@@ -90,6 +99,7 @@ Update::~Update()
		delete minimize;

		delete integrate_map;
		delete minimize_map;
		}

		/* ---------------------------------------------------------------------- */
		@@ -378,14 +388,10 @@ void Update::create_minimize(int narg, char **arg)
		delete [] minimize_style;
		delete minimize;

		if (0) return; // dummy line to enable else-if macro expansion

		#define MINIMIZE_CLASS
		#define MinimizeStyle(key,Class) \
		else if (strcmp(arg[0],#key) == 0) minimize = new Class(lmp);
		#include "style_minimize.h"
		#undef MINIMIZE_CLASS

		if (minimize_map->find(arg[0]) != minimize_map->end()) {
		MinimizeCreator minimize_creator = (*minimize_map)[arg[0]];
		minimize = minimize_creator(lmp);
		}
		else error->all(FLERR,"Illegal min_style command");

		int n = strlen(arg[0]) + 1;
		@@ -393,6 +399,16 @@ void Update::create_minimize(int narg, char **arg)
		strcpy(minimize_style,arg[0]);
		}

		/* ----------------------------------------------------------------------
		one instance per minimize style in style_minimize.h
		------------------------------------------------------------------------- */

		template <typename T>
		Min Update::minimize_creator(LAMMPS lmp)
		{
		return new T(lmp);
		}

		/* ----------------------------------------------------------------------
		reset timestep as called from input script
		------------------------------------------------------------------------- */

src/update.h

+6 −0

Original line number	Diff line number	Diff line
		@@ -49,8 +49,13 @@ class Update : protected Pointers {
		char *minimize_style;

		typedef Integrate (IntegrateCreator)(LAMMPS ,int,char*);
		typedef Min (MinimizeCreator)(LAMMPS *);

		typedef std::map<std::string,IntegrateCreator> IntegrateCreatorMap;
		typedef std::map<std::string,MinimizeCreator> MinimizeCreatorMap;

		IntegrateCreatorMap *integrate_map;
		MinimizeCreatorMap *minimize_map;

		Update(class LAMMPS *);
		~Update();
		@@ -67,6 +72,7 @@ class Update : protected Pointers {
		void new_integrate(char , int, char *, int, int &);

		template <typename T> static Integrate integrate_creator(LAMMPS , int, char **);
		template <typename T> static Min minimize_creator(LAMMPS );
		};

		}

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