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the library interface is for calling from C, so switch nullptr in comments/docs back to NULL

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This commit is contained in:
Axel Kohlmeyer
2020-09-15 19:07:07 -04:00
parent a3765eb75b
commit 88cee4ff09
1 changed files with 23 additions and 23 deletions
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46
src/library.cpp
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@ -105,7 +105,7 @@ LAMMPS executable, and an MPI communicator for LAMMPS to run under.
Since the list of arguments is **exactly** as when called from the Since the list of arguments is **exactly** as when called from the
command line, the first argument would be the name of the executable and command line, the first argument would be the name of the executable and
thus is otherwise ignored. However ``argc`` may be set to 0 and then thus is otherwise ignored. However ``argc`` may be set to 0 and then
``argv`` may be ``nullptr``. If MPI is not yet initialized, ``MPI_Init()`` ``argv`` may be ``NULL``. If MPI is not yet initialized, ``MPI_Init()``
will be called during creation of the LAMMPS class instance. will be called during creation of the LAMMPS class instance.
If for some reason the creation or initialization of the LAMMPS instance If for some reason the creation or initialization of the LAMMPS instance
@ -117,7 +117,7 @@ fails a null pointer is returned.
instance as return value. For backward compatibility it is still instance as return value. For backward compatibility it is still
possible to provide the address of a pointer variable as final possible to provide the address of a pointer variable as final
argument *ptr*\ . This use is deprecated and may be removed in argument *ptr*\ . This use is deprecated and may be removed in
the future. The *ptr* argument may be ``nullptr`` and is then ignored. the future. The *ptr* argument may be ``NULL`` and is then ignored.
.. note:: .. note::
@ -133,7 +133,7 @@ fails a null pointer is returned.
* \param argv list of command line argument strings * \param argv list of command line argument strings
* \param comm MPI communicator for this LAMMPS instance * \param comm MPI communicator for this LAMMPS instance
* \param ptr pointer to a void pointer variable which serves * \param ptr pointer to a void pointer variable which serves
* as a handle; may be ``nullptr`` * as a handle; may be ``NULL``
* \return pointer to new LAMMPS instance cast to ``void *`` */ * \return pointer to new LAMMPS instance cast to ``void *`` */
void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr) void *lammps_open(int argc, char **argv, MPI_Comm comm, void **ptr)
@ -183,14 +183,14 @@ fails a null pointer is returned.
instance as return value. For backward compatibility it is still instance as return value. For backward compatibility it is still
possible to provide the address of a pointer variable as final possible to provide the address of a pointer variable as final
argument *ptr*\ . This use is deprecated and may be removed in argument *ptr*\ . This use is deprecated and may be removed in
the future. The *ptr* argument may be ``nullptr`` and is then ignored. the future. The *ptr* argument may be ``NULL`` and is then ignored.
\endverbatim \endverbatim
* *
* \param argc number of command line arguments * \param argc number of command line arguments
* \param argv list of command line argument strings * \param argv list of command line argument strings
* \param ptr pointer to a void pointer variable * \param ptr pointer to a void pointer variable
* which serves as a handle; may be ``nullptr`` * which serves as a handle; may be ``NULL``
* \return pointer to new LAMMPS instance cast to ``void *`` */ * \return pointer to new LAMMPS instance cast to ``void *`` */
void *lammps_open_no_mpi(int argc, char **argv, void **ptr) void *lammps_open_no_mpi(int argc, char **argv, void **ptr)
@ -375,14 +375,14 @@ string, however, will be treated as part of the command and will **not**
start a second command. The function :cpp:func:`lammps_commands_string` start a second command. The function :cpp:func:`lammps_commands_string`
processes a string with multiple command lines. processes a string with multiple command lines.
The function returns the name of the command on success or ``nullptr`` when The function returns the name of the command on success or ``NULL`` when
passing a string without a command. passing a string without a command.
\endverbatim \endverbatim
* *
* \param handle pointer to a previously created LAMMPS instance * \param handle pointer to a previously created LAMMPS instance
* \param cmd string with a single LAMMPS command * \param cmd string with a single LAMMPS command
* \return string with parsed command name or ``nullptr`` */ * \return string with parsed command name or ``NULL`` */
char *lammps_command(void *handle, const char *cmd) char *lammps_command(void *handle, const char *cmd)
{ {
@ -671,7 +671,7 @@ double lammps_get_thermo(void *handle, const char *keyword)
This function (re-)initializes the simulation box and boundary This function (re-)initializes the simulation box and boundary
information and then assign the designated data to the locations in the information and then assign the designated data to the locations in the
pointers passed as arguments. Any argument (except the first) may be pointers passed as arguments. Any argument (except the first) may be
a nullptr pointer and then will not be assigned. a NULL pointer and then will not be assigned.
\endverbatim \endverbatim
* *
@ -1104,7 +1104,7 @@ to be either an ``int`` or an ``int64_t``. This is selected at
* \param handle pointer to a previously created LAMMPS instance * \param handle pointer to a previously created LAMMPS instance
* \param name string with the name of the extracted property * \param name string with the name of the extracted property
* \return pointer (cast to ``void *``) to the location of the * \return pointer (cast to ``void *``) to the location of the
requested property. nullptr if name is not known. */ requested property. NULL if name is not known. */
void *lammps_extract_global(void *handle, const char *name) void *lammps_extract_global(void *handle, const char *name)
{ {
@ -1196,7 +1196,7 @@ of the :cpp:func:`Atom::extract() <LAMMPS_NS::Atom::extract>` function.
* \param handle pointer to a previously created LAMMPS instance * \param handle pointer to a previously created LAMMPS instance
* \param name string with the name of the extracted property * \param name string with the name of the extracted property
* \return pointer (cast to ``void *``) to the location of the * \return pointer (cast to ``void *``) to the location of the
* requested data or ``nullptr`` if not found. */ * requested data or ``NULL`` if not found. */
void *lammps_extract_atom(void *handle, const char *name) void *lammps_extract_atom(void *handle, const char *name)
{ {
@ -1246,13 +1246,13 @@ X(1),Y(1),Z(1),X(2),Y(2),Z(2),...,X(N),Y(N),Z(N).
* *
* \param handle pointer to a previously created LAMMPS instance * \param handle pointer to a previously created LAMMPS instance
* \param n number of atoms, N, to be added to the system * \param n number of atoms, N, to be added to the system
* \param id pointer to N atom IDs; ``nullptr`` will generate IDs * \param id pointer to N atom IDs; ``NULL`` will generate IDs
* \param type pointer to N atom types (required) * \param type pointer to N atom types (required)
* \param x pointer to 3N doubles with x-,y-,z- positions * \param x pointer to 3N doubles with x-,y-,z- positions
of the new atoms (required) of the new atoms (required)
* \param v pointer to 3N doubles with x-,y-,z- velocities * \param v pointer to 3N doubles with x-,y-,z- velocities
of the new atoms (set to 0.0 if ``nullptr``) of the new atoms (set to 0.0 if ``NULL``)
* \param image pointer to N imageint sets of image flags, or ``nullptr`` * \param image pointer to N imageint sets of image flags, or ``NULL``
* \param bexpand if 1, atoms outside of shrink-wrap boundaries will * \param bexpand if 1, atoms outside of shrink-wrap boundaries will
still be created and not dropped and the box extended still be created and not dropped and the box extended
* \return number of atoms created on success; * \return number of atoms created on success;
@ -1365,7 +1365,7 @@ dimensions of the respective data. Since computes may provide multiple
kinds of data, it is required to set style and type flags representing kinds of data, it is required to set style and type flags representing
what specific data is desired. This also determines to what kind of what specific data is desired. This also determines to what kind of
pointer the returned pointer needs to be cast to access the data pointer the returned pointer needs to be cast to access the data
correctly. The function returns ``nullptr`` if the compute ID is not found correctly. The function returns ``NULL`` if the compute ID is not found
or the requested data is not available or current. The following table or the requested data is not available or current. The following table
lists the available options. lists the available options.
@ -1453,7 +1453,7 @@ be used after other LAMMPS commands have been issued.
* \param type constant indicating type of data (scalar, vector, * \param type constant indicating type of data (scalar, vector,
or array) or size of rows or columns or array) or size of rows or columns
* \return pointer (cast to ``void *``) to the location of the * \return pointer (cast to ``void *``) to the location of the
* requested data or ``nullptr`` if not found. */ * requested data or ``NULL`` if not found. */
void *lammps_extract_compute(void *handle, char *id, int style, int type) void *lammps_extract_compute(void *handle, char *id, int style, int type)
{ {
@ -1533,7 +1533,7 @@ Since individual fixes may provide multiple kinds of data, it is
required to set style and type flags representing what specific data is required to set style and type flags representing what specific data is
desired. This also determines to what kind of pointer the returned desired. This also determines to what kind of pointer the returned
pointer needs to be cast to access the data correctly. The function pointer needs to be cast to access the data correctly. The function
returns ``nullptr`` if the fix ID is not found or the requested data is not returns ``NULL`` if the fix ID is not found or the requested data is not
available. available.
.. note:: .. note::
@ -1637,7 +1637,7 @@ been issued.
* \param nrow row index (only used for global vectors and arrays) * \param nrow row index (only used for global vectors and arrays)
* \param ncol column index (only used for global arrays) * \param ncol column index (only used for global arrays)
* \return pointer (cast to ``void *``) to the location of the * \return pointer (cast to ``void *``) to the location of the
* requested data or ``nullptr`` if not found. */ * requested data or ``NULL`` if not found. */
void *lammps_extract_fix(void *handle, char *id, int style, int type, void *lammps_extract_fix(void *handle, char *id, int style, int type,
int nrow, int ncol) int nrow, int ncol)
@ -1714,9 +1714,9 @@ identified by its name. The variable must be either an *equal*\ -style
compatible or an *atom*\ -style variable. Variables of style *internal* compatible or an *atom*\ -style variable. Variables of style *internal*
are compatible with *equal*\ -style variables and so are *python*\ are compatible with *equal*\ -style variables and so are *python*\
-style variables, if they return a numeric value. The function returns -style variables, if they return a numeric value. The function returns
``nullptr`` when a variable of the provided *name* is not found or of an ``NULL`` when a variable of the provided *name* is not found or of an
incompatible style. The *group* argument is only used for *atom*\ incompatible style. The *group* argument is only used for *atom*\
-style variables and ignored otherwise. If set to ``nullptr`` when -style variables and ignored otherwise. If set to ``NULL`` when
extracting data from and *atom*\ -style variable, the group is assumed extracting data from and *atom*\ -style variable, the group is assumed
to be "all". to be "all".
@ -1730,7 +1730,7 @@ to be "all".
.. code-block:: c .. code-block:: c
double *dptr = (double *) lammps_extract_variable(handle,name,nullptr); double *dptr = (double *) lammps_extract_variable(handle,name,NULL);
double value = *dptr; double value = *dptr;
lammps_free((void *)dptr); lammps_free((void *)dptr);
@ -1753,9 +1753,9 @@ values will not be updated, in case the variable is re-evaluated.
* *
* \param handle pointer to a previously created LAMMPS instance * \param handle pointer to a previously created LAMMPS instance
* \param name name of the variable * \param name name of the variable
* \param group group-ID for atom style variable or ``nullptr`` * \param group group-ID for atom style variable or ``NULL``
* \return pointer (cast to ``void *``) to the location of the * \return pointer (cast to ``void *``) to the location of the
* requested data or ``nullptr`` if not found. */ * requested data or ``NULL`` if not found. */
void *lammps_extract_variable(void *handle, char *name, char *group) void *lammps_extract_variable(void *handle, char *name, char *group)
{ {
@ -4142,7 +4142,7 @@ int lammps_neighlist_num_elements(void * handle, int idx) {
invalid idx or element value invalid idx or element value
* \param[out] numneigh number of neighbors of atom iatom or 0 * \param[out] numneigh number of neighbors of atom iatom or 0
* \param[out] neighbors pointer to array of neighbor atom local indices or * \param[out] neighbors pointer to array of neighbor atom local indices or
* nullptr * NULL
*/ */
void lammps_neighlist_element_neighbors(void * handle, int idx, int element, int * iatom, int * numneigh, int ** neighbors) { void lammps_neighlist_element_neighbors(void * handle, int idx, int element, int * iatom, int * numneigh, int ** neighbors) {
LAMMPS * lmp = (LAMMPS *) handle; LAMMPS * lmp = (LAMMPS *) handle;