expose document and test more atom style property flags

src/library.cpp

@@ -961,6 +961,18 @@ not recognized, the function returns -1.
      - 1 if the atom style includes point dipoles. See :doc:`atom_style`.
    * - rmass_flag
      - 1 if the atom style includes per-atom masses, 0 if there are per-type masses. See :doc:`atom_style`.
+   * - radius_flag
+     - 1 if the atom style includes a per-atom radius. See :doc:`atom_style`.
+   * - sphere_flag
+     - 1 if the atom style describes extended particles that can rotate. See :doc:`atom_style`.
+   * - ellipsoid_flag
+     - 1 if the atom style describes extended particles that may be ellipsoidal. See :doc:`atom_style`.
+   * - omega_flag
+     - 1 if the atom style can store per-atom rotational velocities. See :doc:`atom_style`.
+   * - torque_flag
+     - 1 if the atom style can store per-atom torques. See :doc:`atom_style`.
+   * - angmom_flag
+     - 1 if the atom style can store per-atom angular momentum. See :doc:`atom_style`.
 
 *See also*
    :cpp:func:`lammps_extract_global`
@@ -998,6 +1010,13 @@ int lammps_extract_setting(void *handle, const char *keyword)
   if (strcmp(keyword,"q_flag") == 0) return lmp->atom->q_flag;
   if (strcmp(keyword,"mu_flag") == 0) return lmp->atom->mu_flag;
   if (strcmp(keyword,"rmass_flag") == 0) return lmp->atom->rmass_flag;
+  if (strcmp(keyword,"radius_flag") == 0) return lmp->atom->radius_flag;
+  if (strcmp(keyword,"sphere_flag") == 0) return lmp->atom->sphere_flag;
+  if (strcmp(keyword,"ellipsoid_flag") == 0) return lmp->atom->ellipsoid_flag;
+  if (strcmp(keyword,"omega_flag") == 0) return lmp->atom->omega_flag;
+  if (strcmp(keyword,"torque_flag") == 0) return lmp->atom->torque_flag;
+  if (strcmp(keyword,"angmom_flag") == 0) return lmp->atom->angmom_flag;
+  if (strcmp(keyword,"peri_flag") == 0) return lmp->atom->peri_flag;
 
   return -1;
 }

unittest/c-library/test_library_properties.cpp

@@ -198,6 +198,13 @@ TEST_F(LibraryProperties, setting)
     if (!verbose) ::testing::internal::CaptureStdout();
     lammps_command(lmp, "dimension 3");
     if (!verbose) ::testing::internal::GetCapturedStdout();
+
+    EXPECT_EQ(lammps_extract_setting(lmp, "ntypes"), 0);
+    EXPECT_EQ(lammps_extract_setting(lmp, "nbondtypes"), 0);
+    EXPECT_EQ(lammps_extract_setting(lmp, "nangletypes"), 0);
+    EXPECT_EQ(lammps_extract_setting(lmp, "ndihedraltypes"), 0);
+    EXPECT_EQ(lammps_extract_setting(lmp, "nimpropertypes"), 0);
+
     EXPECT_EQ(lammps_extract_setting(lmp, "molecule_flag"), 0);
     EXPECT_EQ(lammps_extract_setting(lmp, "q_flag"), 0);
     EXPECT_EQ(lammps_extract_setting(lmp, "mu_flag"), 0);
@@ -217,10 +224,22 @@ TEST_F(LibraryProperties, setting)
         EXPECT_EQ(lammps_extract_setting(lmp, "nghost"), 518);
         EXPECT_EQ(lammps_extract_setting(lmp, "nall"), 547);
         EXPECT_EQ(lammps_extract_setting(lmp, "nmax"), 16384);
+        EXPECT_EQ(lammps_extract_setting(lmp, "ntypes"), 5);
+        EXPECT_EQ(lammps_extract_setting(lmp, "nbondtypes"), 5);
+        EXPECT_EQ(lammps_extract_setting(lmp, "nangletypes"), 4);
+        EXPECT_EQ(lammps_extract_setting(lmp, "ndihedraltypes"), 5);
+        EXPECT_EQ(lammps_extract_setting(lmp, "nimpropertypes"), 2);
+
         EXPECT_EQ(lammps_extract_setting(lmp, "molecule_flag"), 1);
         EXPECT_EQ(lammps_extract_setting(lmp, "q_flag"), 1);
         EXPECT_EQ(lammps_extract_setting(lmp, "mu_flag"), 0);
         EXPECT_EQ(lammps_extract_setting(lmp, "rmass_flag"), 0);
+        EXPECT_EQ(lammps_extract_setting(lmp, "radius_flag"), 0);
+        EXPECT_EQ(lammps_extract_setting(lmp, "sphere_flag"), 0);
+        EXPECT_EQ(lammps_extract_setting(lmp, "ellipsoid_flag"), 0);
+        EXPECT_EQ(lammps_extract_setting(lmp, "omega_flag"), 0);
+        EXPECT_EQ(lammps_extract_setting(lmp, "torque_flag"), 0);
+        EXPECT_EQ(lammps_extract_setting(lmp, "angmom_flag"), 0);
         if (!verbose) ::testing::internal::CaptureStdout();
         lammps_command(lmp, "change_box all triclinic");
         lammps_command(lmp, "fix rmass all property/atom rmass ghost yes");