From 58ceab93ec03f4da098b1f4d1e770cc34470f68f Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 18 Oct 2020 00:45:04 -0400 Subject: [PATCH] include enumerators --- swig/lammps.i | 45 ++++++++++++++++++++++++++++++++++++++++++--- 1 file changed, 42 insertions(+), 3 deletions(-) diff --git a/swig/lammps.i b/swig/lammps.i index 4ef6fdf994..0e9ecb67e3 100644 --- a/swig/lammps.i +++ b/swig/lammps.i @@ -1,5 +1,41 @@ %{ -/* extern void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr); */ + +enum _LMP_DATATYPE_CONST { + LAMMPS_INT = 0, /*!< 32-bit integer (array) */ + LAMMPS_INT_2D = 1, /*!< two-dimensional 32-bit integer array */ + LAMMPS_DOUBLE = 2, /*!< 64-bit double (array) */ + LAMMPS_DOUBLE_2D = 3, /*!< two-dimensional 64-bit double array */ + LAMMPS_INT64 = 4, /*!< 64-bit integer (array) */ + LAMMPS_INT64_2D = 5, /*!< two-dimensional 64-bit integer array */ + LAMMPS_STRING = 6 /*!< C-String */ +}; + +/** Style constants for extracting data from computes and fixes. + * + * Must be kept in sync with the equivalent constants in lammps.py */ + +enum _LMP_STYLE_CONST { + LMP_STYLE_GLOBAL=0, /*!< return global data */ + LMP_STYLE_ATOM =1, /*!< return per-atom data */ + LMP_STYLE_LOCAL =2 /*!< return local data */ +}; + +/** Type and size constants for extracting data from computes and fixes. + * + * Must be kept in sync with the equivalent constants in lammps.py */ + +enum _LMP_TYPE_CONST { + LMP_TYPE_SCALAR=0, /*!< return scalar */ + LMP_TYPE_VECTOR=1, /*!< return vector */ + LMP_TYPE_ARRAY =2, /*!< return array */ + LMP_SIZE_VECTOR=3, /*!< return length of vector */ + LMP_SIZE_ROWS =4, /*!< return number of rows */ + LMP_SIZE_COLS =5 /*!< return number of columns */ +}; + +/* + extern void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr); +*/ extern void *lammps_open_no_mpi(int argc, char **argv, void **ptr); extern void *lammps_open_fortran(int argc, char **argv, int f_comm); extern void lammps_close(void *handle); @@ -26,7 +62,9 @@ extern void *lammps_extract_global(void *handle, const char *name); extern void *lammps_extract_atom(void *handle, const char *name); extern int lammps_extract_global_datatype(void *handle, const char *name); extern int lammps_extract_atom_datatype(void *handle, const char *name); -/* extern int lammps_create_atoms(void *handle, int n, int *id, int *type, +extern int lammps_create_atoms(void *handle, int n, int *id, int *type, + double *x, double *v, int *image, int bexpand); +/* extern int lammps_create_atoms(void *handle, int n, int64_t *id, int *type, */ extern void *lammps_extract_compute(void *handle, char *id, int, int); extern void *lammps_extract_fix(void *handle, char *, int, int, int, int); @@ -106,8 +144,9 @@ extern void *lammps_extract_global(void *handle, const char *name); extern void *lammps_extract_atom(void *handle, const char *name); extern int lammps_extract_global_datatype(void *handle, const char *name); extern int lammps_extract_atom_datatype(void *handle, const char *name); -/* extern int lammps_create_atoms(void *handle, int n, int *id, int *type, + double *x, double *v, int *image, int bexpand); +/* extern int lammps_create_atoms(void *handle, int n, int64_t *id, int *type, */ extern void *lammps_extract_compute(void *handle, char *id, int, int); extern void *lammps_extract_fix(void *handle, char *, int, int, int, int);