add group::assign convenience version (7f05c578) · Commits · 郑智淋 / lammps

src/group.cpp

+16 −0

Original line number	Original line	Diff line number	Diff line
	@@ -547,6 +547,22 @@ void Group::assign(int narg, char **arg)
	}		}
	}		}

			/* ----------------------------------------------------------------------
			convenience function to allow assigning to groups from a single string
			------------------------------------------------------------------------- */

			void Group::assign(const std::string &fixcmd)
			{
			std::vector<std::string> args = utils::split_words(fixcmd);
			char *newarg = new char[args.size()];
			int i=0;
			for (const auto &arg : args) {
			newarg[i++] = (char *)arg.c_str();
			}
			assign(args.size(),newarg);
			delete[] newarg;
			}

	/* ----------------------------------------------------------------------		/* ----------------------------------------------------------------------
	add flagged atoms to a new or existing group		add flagged atoms to a new or existing group
	------------------------------------------------------------------------- */		------------------------------------------------------------------------- */

+1 −0

Original line number	Original line	Diff line number	Diff line
	@@ -30,6 +30,7 @@ class Group : protected Pointers {
	Group(class LAMMPS *);		Group(class LAMMPS *);
	~Group();		~Group();
	void assign(int, char **); // assign atoms to a group		void assign(int, char **); // assign atoms to a group
			void assign(const std::string &); // convenience function
	void create(char , int ); // add flagged atoms to a group		void create(char , int ); // add flagged atoms to a group
	int find(const char *); // lookup name in list of groups		int find(const char *); // lookup name in list of groups
	int find_or_create(const char *); // lookup name or create new group		int find_or_create(const char *); // lookup name or create new group