get rid of snprintf() and local buffers in atom style creation (97e69abc) · Commits · 郑智淋 / lammps

src/KOKKOS/atom_kokkos.cpp

+2 −1

Original line number	Diff line number	Diff line
		@@ -340,7 +340,8 @@ void AtomKokkos::sync_modify(ExecutionSpace execution_space,
		modified(execution_space,datamask_modify);
		}

		AtomVec AtomKokkos::new_avec(const char style, int trysuffix, int &sflag)
		AtomVec *AtomKokkos::new_avec(const std::string &style,
		int trysuffix, int &sflag)
		{
		AtomVec* avec = Atom::new_avec(style,trysuffix,sflag);
		if (!avec->kokkosable)

src/KOKKOS/atom_kokkos.h

+1 −1

Original line number	Diff line number	Diff line
		@@ -74,7 +74,7 @@ class AtomKokkos : public Atom {
		virtual void deallocate_topology();
		void sync_modify(ExecutionSpace, unsigned int, unsigned int);
		private:
		class AtomVec new_avec(const char , int, int &);
		class AtomVec *new_avec(const std::string &, int, int &);
		};

		template<class ViewType, class IndexView>

src/atom.cpp

+12 −15

Original line number	Diff line number	Diff line
		@@ -16,6 +16,7 @@
		#include <climits>
		#include <cstdlib>
		#include <cstring>
		#include <string>
		#include "style_atom.h"
		#include "atom_vec.h"
		#include "atom_vec_ellipsoid.h"
		@@ -681,7 +682,7 @@ void Atom::set_atomflag_defaults()
		called from lammps.cpp, input script, restart file, replicate
		------------------------------------------------------------------------- */

		void Atom::create_avec(const char style, int narg, char *arg, int trysuffix)
		void Atom::create_avec(const std::string &style, int narg, char **arg, int trysuffix)
		{
		delete [] atom_style;
		if (avec) delete avec;
		@@ -704,16 +705,14 @@ void Atom::create_avec(const char style, int narg, char *arg, int trysuffix)
		avec->grow(1);

		if (sflag) {
		char estyle[256];
		if (sflag == 1) snprintf(estyle,256,"%s/%s",style,lmp->suffix);
		else snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
		int n = strlen(estyle) + 1;
		atom_style = new char[n];
		strcpy(atom_style,estyle);
		std::string estyle = style + "/";
		if (sflag == 1) estyle += lmp->suffix;
		else estyle += lmp->suffix2;
		atom_style = new char[estyle.size()+1];
		strcpy(atom_style,estyle.c_str());
		} else {
		int n = strlen(style) + 1;
		atom_style = new char[n];
		strcpy(atom_style,style);
		atom_style = new char[style.size()+1];
		strcpy(atom_style,style.c_str());
		}

		// if molecular system:
		@@ -731,13 +730,12 @@ void Atom::create_avec(const char style, int narg, char *arg, int trysuffix)
		generate an AtomVec class, first with suffix appended
		------------------------------------------------------------------------- */

		AtomVec Atom::new_avec(const char style, int trysuffix, int &sflag)
		AtomVec *Atom::new_avec(const std::string &style, int trysuffix, int &sflag)
		{
		if (trysuffix && lmp->suffix_enable) {
		if (lmp->suffix) {
		sflag = 1;
		char estyle[256];
		snprintf(estyle,256,"%s/%s",style,lmp->suffix);
		std::string estyle = style + "/" + lmp->suffix;
		if (avec_map->find(estyle) != avec_map->end()) {
		AtomVecCreator avec_creator = (*avec_map)[estyle];
		return avec_creator(lmp);
		@@ -746,8 +744,7 @@ AtomVec Atom::new_avec(const char style, int trysuffix, int &sflag)

		if (lmp->suffix2) {
		sflag = 2;
		char estyle[256];
		snprintf(estyle,256,"%s/%s",style,lmp->suffix2);
		std::string estyle = style + "/" + lmp->suffix2;
		if (avec_map->find(estyle) != avec_map->end()) {
		AtomVecCreator avec_creator = (*avec_map)[estyle];
		return avec_creator(lmp);

src/atom.h

+2 −2

Original line number	Diff line number	Diff line
		@@ -262,8 +262,8 @@ class Atom : protected Pointers {
		void add_peratom_change_columns(const char *, int);
		void add_peratom_vary(const char , void , int, int *,
		void *, int collength=0);
		void create_avec(const char , int, char *, int);
		virtual class AtomVec new_avec(const char , int, int &);
		void create_avec(const std::string &, int, char **, int);
		virtual class AtomVec *new_avec(const std::string &, int, int &);

		void init();
		void setup();

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