Add library functions for accessing LAMMPS configuration (19f81e08) · Commits · 郑智淋 / lammps

python/lammps.py

+30 −6

Original line number	Diff line number	Diff line
		@@ -209,6 +209,7 @@ class lammps(object):
		self.c_bigint = get_ctypes_int(self.extract_setting("bigint"))
		self.c_tagint = get_ctypes_int(self.extract_setting("tagint"))
		self.c_imageint = get_ctypes_int(self.extract_setting("imageint"))
		self._installed_packages = None

		# shut-down LAMMPS instance

		@@ -562,13 +563,36 @@ class lammps(object):
		shrinkexceed)

		@property
		def uses_exceptions(self):
		def has_exceptions(self):
		""" Return whether the LAMMPS shared library was compiled with C++ exceptions handling enabled """
		try:
		if self.lib.lammps_has_error:
		return True
		except(AttributeError):
		return False
		return self.lib.lammps_config_has_exceptions() != 0

		@property
		def has_gzip_support(self):
		return self.lib.lammps_config_has_gzip_support() != 0

		@property
		def has_png_support(self):
		return self.lib.lammps_config_has_png_support() != 0

		@property
		def has_jpeg_support(self):
		return self.lib.lammps_config_has_jpeg_support() != 0

		@property
		def has_ffmpeg_support(self):
		return self.lib.lammps_config_has_ffmpeg_support() != 0

		@property
		def installed_packages(self):
		if self._installed_packages is None:
		self._installed_packages = []
		npackages = self.lib.lammps_config_package_count()
		sb = create_string_buffer(100)
		for idx in range(npackages):
		self.lib.lammps_config_package_name(idx, sb, 100)
		self._installed_packages.append(sb.value.decode())
		return self._installed_packages

		# -------------------------------------------------------------------------
		# -------------------------------------------------------------------------

src/info.cpp

+9 −0

Original line number	Diff line number	Diff line
		@@ -1190,6 +1190,15 @@ bool Info::has_exceptions() {
		#endif
		}

		bool Info::has_package(const char * package_name) {
		for(int i = 0; LAMMPS::installed_packages[i] != NULL; ++i) {
		if(strcmp(package_name, LAMMPS::installed_packages[i]) == 0) {
		return true;
		}
		}
		return false;
		}

		/* ---------------------------------------------------------------------- */

		char **Info::get_variable_names(int &num) {

src/info.h

+1 −0

Original line number	Diff line number	Diff line
		@@ -38,6 +38,7 @@ class Info : protected Pointers {
		static bool has_jpeg_support();
		static bool has_ffmpeg_support();
		static bool has_exceptions();
		static bool has_package(const char * package_name);

		char **get_variable_names(int &num);

src/library.cpp

+51 −0

Original line number	Diff line number	Diff line
		@@ -38,6 +38,7 @@
		#include "memory.h"
		#include "error.h"
		#include "force.h"
		#include "info.h"

		using namespace LAMMPS_NS;

		@@ -1522,6 +1523,56 @@ void lammps_create_atoms(void ptr, int n, tagint id, int *type,
		END_CAPTURE
		}

		// ----------------------------------------------------------------------
		// library API functions for accessing LAMMPS configuration
		// ----------------------------------------------------------------------

		int lammps_config_has_package(char * package_name) {
		return Info::has_package(package_name);
		}

		int lammps_config_package_count() {
		int i = 0;
		while(LAMMPS::installed_packages[i] != NULL) {
		++i;
		}
		return i;
		}

		int lammps_config_package_name(int index, char * buffer, int max_size) {
		int i = 0;
		while(LAMMPS::installed_packages[i] != NULL && i < index) {
		++i;
		}

		if(LAMMPS::installed_packages[i] != NULL) {
		strncpy(buffer, LAMMPS::installed_packages[i], max_size);
		return true;
		}

		return false;
		}

		int lammps_config_has_gzip_support() {
		return Info::has_gzip_support();
		}

		int lammps_config_has_png_support() {
		return Info::has_png_support();
		}

		int lammps_config_has_jpeg_support() {
		return Info::has_jpeg_support();
		}

		int lammps_config_has_ffmpeg_support() {
		return Info::has_ffmpeg_support();
		}

		int lammps_config_has_exceptions() {
		return Info::has_exceptions();
		}

		// ----------------------------------------------------------------------
		// library API functions for error handling
		// ----------------------------------------------------------------------

src/library.h

+9 −0

Original line number	Diff line number	Diff line
		@@ -55,6 +55,15 @@ void lammps_gather_atoms_subset(void , char , int, int, int, int , void );
		void lammps_scatter_atoms(void , char , int, int, void *);
		void lammps_scatter_atoms_subset(void , char , int, int, int, int , void );

		int lammps_config_has_package(char * package_name);
		int lammps_config_package_count();
		int lammps_config_package_name(int index, char * buffer, int max_size);
		int lammps_config_has_gzip_support();
		int lammps_config_has_png_support();
		int lammps_config_has_jpeg_support();
		int lammps_config_has_ffmpeg_support();
		int lammps_config_has_exceptions();

		// lammps_create_atoms() takes tagint and imageint as args
		// ifdef insures they are compatible with rest of LAMMPS
		// caller must match to how LAMMPS library is built

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