unit tests for has_style, style_count, and style_name; added them to docs

doc/src/Fortran.rst

@@ -281,6 +281,9 @@ of the contents of the ``LIBLAMMPS`` Fortran interface to LAMMPS.
    :f function config_accelerator: :f:func:`config_accelerator`
    :f function has_gpu_device: :f:func:`has_gpu_device`
    :f subroutine get_gpu_device_info: :f:func:`get_gpu_device_info`
+   :f function has_style: :f:func:`has_style`
+   :f function style_count: :f:func:`style_count`
+   :f function style_name: :f:func:`style_name`
    :f function encode_image_flags: :f:func:`encode_image_flags`
    :f subroutine decode_image_flags: :f:func:`decode_image_flags`
    :f subroutine flush_buffers: :f:func:`flush_buffers`
@@ -1588,6 +1591,60 @@ Procedures Bound to the lammps Derived Type
 
 --------
 
+.. f:function:: has_style(category, name)
+
+   Check whether a specific style has been included in LAMMPS.
+
+   .. versionadded:: TBD
+
+   This function calls :cpp:func:`lammps_has_style` to check whether the
+   LAMMPS library in use includes the specific style *name* associated with a
+   specific *category* provided as arguments.  Please see
+   :cpp:func:`lammps_has_style` for a list of valid categories.
+
+   :p character(len=\*) category: category of the style
+   :p character(len=\*) name:     name of the style
+   :r logical: ``.TRUE.`` if included, ``.FALSE.`` if not.
+
+--------
+
+.. f:function:: style_count(category)
+
+   Count the number of styles of *category* in the LAMMPS library.
+
+   .. versionadded:: TBD
+
+   This function counts how many styles in the provided *category* are
+   included in the LAMMPS library currently in use. Please see
+   :cpp:func:`lammps_has_style` for a list of valid categories.
+
+   :p character(len=\*) category: category of styles to count
+   :r integer(c_int): number of styles in *category*
+
+--------
+
+.. f:subroutine:: style_name(category, idx, buffer)
+
+   Look up the name of a style by index in the list of styles of a given
+   category in the LAMMPS library.
+
+   .. versionadded:: TBD
+
+   This function calls :cpp:func:`lammps_style_name` and copies the name of
+   the *category* style with index *idx* into the provided string *buffer*.
+   The length of *buffer* must be long enough to contain the name of the
+   style; if it is too short, the name will be truncated accordingly.
+   If *idx* is out of range, *buffer* will be the empty string and a warning
+   will be issued.
+
+   :p character(len=\*) category: category of styles
+   :p integer(c_int) idx:         index of the style in the list of *category*
+    styles :math:`(1 \leq idx \leq \text{style count})`
+   :p character(len\*) buffer:    string buffer to copy the name of the style
+    into
+
+--------
+
 .. f:function:: encode_image_flags(ix, iy, iz)
 
    Encodes three integer image flags into a single imageint.

unittest/fortran/test_fortran_configuration.f90

@@ -143,10 +143,6 @@ FUNCTION f_lammps_package_name(idx) BIND(C)
   END IF
 END FUNCTION f_lammps_package_name
 
-
-
-
-
 FUNCTION f_lammps_config_accelerator(package, category, setting) BIND(C)
   USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_int, c_ptr, c_size_t, c_char, &
       C_F_POINTER
@@ -214,3 +210,33 @@ FUNCTION f_lammps_get_gpu_info(buf_size) RESULT(info) BIND(C)
   CALL lmp%get_gpu_device_info(string)
   info = f2c_string(string)
 END FUNCTION f_lammps_get_gpu_info
+
+FUNCTION f_lammps_has_style(Ccategory, Cname) BIND(C)
+  USE, INTRINSIC :: ISO_C_BINDING, ONLY : c_size_t, c_ptr, c_char, c_int, &
+    C_F_POINTER
+  USE keepstuff, ONLY : lmp, c_strlen
+  IMPLICIT NONE
+  TYPE(c_ptr), INTENT(IN), VALUE :: Ccategory, Cname
+  INTEGER(c_int) :: f_lammps_has_style
+  CHARACTER(LEN=1,KIND=c_char), DIMENSION(:), POINTER :: Fcategory, Fname
+  INTEGER(c_size_t) :: category_len, name_len, i
+  CHARACTER(LEN=:), ALLOCATABLE :: category, name
+
+  category_len = c_strlen(Ccategory)
+  name_len = c_strlen(Cname)
+  CALL C_F_POINTER(Ccategory, Fcategory, [category_len])
+  CALL C_F_POINTER(Cname, Fname, [name_len])
+  ALLOCATE(CHARACTER(LEN=category_len) :: category)
+  ALLOCATE(CHARACTER(LEN=name_len) :: name)
+  DO i = 1, category_len
+    category(i:i) = Fcategory(i)
+  END DO
+  DO i = 1, name_len
+    name(i:i) = Fname(i)
+  END DO
+  IF (lmp%has_style(category, name)) THEN
+    f_lammps_has_style = 1_c_int
+  ELSE
+    f_lammps_has_style = 0_c_int
+  END IF
+END FUNCTION f_lammps_has_style

unittest/fortran/wrap_configuration.cpp

@@ -25,7 +25,7 @@ char* f_lammps_package_name(int);
 int f_lammps_config_accelerator(const char*, const char*, const char*);
 int f_lammps_has_gpu();
 char* f_lammps_get_gpu_info(size_t);
-int f_lammps_has_style();
+int f_lammps_has_style(const char*, const char*);
 int f_lammps_style_count();
 int f_lammps_style_name();
 }
@@ -58,61 +58,57 @@ protected:
 
 TEST_F(LAMMPS_configuration, version)
 {
-   EXPECT_LT(20200917, f_lammps_version());
+    EXPECT_LT(20200917, f_lammps_version());
-   EXPECT_EQ(lmp->num_ver, f_lammps_version());
+    EXPECT_EQ(lmp->num_ver, f_lammps_version());
 };
 
 TEST_F(LAMMPS_configuration, MPI_support)
 {
 #ifdef MPI_STUBS
-   EXPECT_EQ(f_lammps_mpi_support(), 0);
+    EXPECT_EQ(f_lammps_mpi_support(), 0);
 #else
-   EXPECT_EQ(f_lammps_mpi_support(), 1);
+    EXPECT_EQ(f_lammps_mpi_support(), 1);
 #endif
 };
 
 TEST_F(LAMMPS_configuration, gzip_support)
 {
-   EXPECT_EQ(f_lammps_gzip_support(), Info::has_gzip_support());
+    EXPECT_EQ(f_lammps_gzip_support(), Info::has_gzip_support());
 }
 
 TEST_F(LAMMPS_configuration, png_support)
 {
-   EXPECT_EQ(f_lammps_png_support(), Info::has_png_support());
+    EXPECT_EQ(f_lammps_png_support(), Info::has_png_support());
 }
 
 TEST_F(LAMMPS_configuration, jpeg_support)
 {
-   EXPECT_EQ(f_lammps_jpeg_support(), Info::has_jpeg_support());
+    EXPECT_EQ(f_lammps_jpeg_support(), Info::has_jpeg_support());
 }
 
 TEST_F(LAMMPS_configuration, ffmpeg_support)
 {
-   EXPECT_EQ(f_lammps_ffmpeg_support(), Info::has_ffmpeg_support());
+    EXPECT_EQ(f_lammps_ffmpeg_support(), Info::has_ffmpeg_support());
 }
 
 TEST_F(LAMMPS_configuration, has_exceptions)
 {
-   EXPECT_EQ(f_lammps_has_exceptions(), Info::has_exceptions());
+    EXPECT_EQ(f_lammps_has_exceptions(), Info::has_exceptions());
 }
 
 TEST_F(LAMMPS_configuration, has_package)
 {
-   std::vector<std::string> pkg_name = {"ADIOS","ASPHERE","ATC","AWPMD","BOCS",
+    std::vector<std::string> pkg_name = {"ADIOS","ASPHERE","ATC","AWPMD","BOCS","BODY","BPM",
-      "BODY", "BPM", "BROWNIAN", "CG-DNA", "CLASS2", "COLLOID", "COLVARS",
+      "BROWNIAN","CG-DNA","CLASS2","COLLOID","COLVARS","COMPRESS","CORESHELL","DEPEND",
-      "COMPRESS", "CORESHELL", "DEPEND", "DIELECTRIC", "DIFFRACTION", "DIPOLE",
+      "DIELECTRIC","DIFFRACTION","DIPOLE","DPD-BASIC","DPD-MESO","DPD-REACT","DPD-SMOOTH","DRUDE",
-      "DPD-BASIC", "DPD-MESO", "DPD-REACT", "DPD-SMOOTH", "DRUDE", "EFF",
+      "EFF","ELECTRODE","EXTRA-COMPUTE","EXTRA-DUMP","EXTRA-FIX","EXTRA-MOLECULE","EXTRA-PAIR",
-      "ELECTRODE", "EXTRA-COMPUTE", "EXTRA-DUMP", "EXTRA-FIX",
+      "FEP","GPU","GRANULAR","H5MD","INTEL","INTEL/TEST","INTERLAYER","KIM","KOKKOS","KSPACE",
-      "EXTRA-MOLECULE", "EXTRA-PAIR", "FEP", "GPU", "GRANULAR", "H5MD",
+      "LATBOLTZ","LATTE","MACHDYN","MAKE","MAKE/MACHINES","MAKE/MINE","MAKE/OPTIONS","MANIFOLD",
-      "INTEL", "INTEL/TEST", "INTERLAYER", "KIM", "KOKKOS", "KSPACE",
+      "MANYBODY","MC","MDI","MEAM","MESONT","MGPT","MISC","ML-HDNNP","ML-IAP","ML-PACE","ML-QUIP",
-      "LATBOLTZ", "LATTE", "MACHDYN", "MAKE", "MAKE/MACHINES", "MAKE/MINE",
+      "ML-RANN","ML-SNAP","MOFFF","MOLECULE","MOLFILE","MPIIO","MSCG","NETCDF","OPENMP","OPT",
-      "MAKE/OPTIONS", "MANIFOLD", "MANYBODY", "MC", "MDI", "MEAM", "MESONT",
+      "ORIENT","PERI","PHONON","PLUGIN","PLUMED","POEMS","PTM","PYTHON","QEQ","QMMM","QTB",
-      "MGPT", "MISC", "ML-HDNNP", "ML-IAP", "ML-PACE", "ML-QUIP", "ML-RANN",
+      "REACTION","REAXFF","REPLICA","RIGID","SCAFACOS","SHOCK","SMTBQ","SPH","SPIN","SRD","STUBS",
-      "ML-SNAP", "MOFFF", "MOLECULE", "MOLFILE", "MPIIO", "MSCG", "NETCDF",
+      "TALLY","UEF","VORONOI","VTK","YAFF","CG-SPICA","AMOEBA"};
-      "OPENMP", "OPT", "ORIENT", "PERI", "PHONON", "PLUGIN", "PLUMED", "POEMS",
-      "PTM", "PYTHON", "QEQ", "QMMM", "QTB", "REACTION", "REAXFF", "REPLICA",
-      "RIGID", "SCAFACOS", "SHOCK", "SMTBQ", "SPH", "SPIN", "SRD", "STUBS",
-      "TALLY", "UEF", "VORONOI", "VTK", "YAFF", "CG-SPICA", "AMOEBA"};
 
    for (int i = 0; i < pkg_name.size(); i++)
       EXPECT_EQ(f_lammps_has_package(pkg_name[i].c_str()),
@@ -201,4 +197,22 @@ TEST_F(LAMMPS_configuration, get_gpu_info)
     }
 };
 
+TEST_F(LAMMPS_configuration, has_style)
+{
+    std::vector<std::string> category = {"atom","integrate","minimize","pair",
+      "bond","angle","dihedral","improper","kspace","fix","compute","region",
+      "dump","command"};
+    Info info(lmp);
+    for (int c = 0; c < category.size(); c++)
+    {
+        std::vector<std::string> name = info.get_available_styles(category[c]);
+        for (int s = 0; s < name.size(); s++)
+        {
+            EXPECT_EQ(f_lammps_has_style(category[c].c_str(),
+              name[s].c_str()), info.has_style(category[c], name[s]));
+        }
+    }
+    EXPECT_EQ(f_lammps_has_style("atom","none"), 0);
+};
+
 } // namespace LAMMPS_NS