add library interface to Variable::internal_set()

python/lammps/core.py

@@ -282,6 +282,8 @@ class lammps(object):
     self.lib.lammps_config_accelerator.argtypes = [c_char_p, c_char_p, c_char_p]
 
     self.lib.lammps_set_variable.argtypes = [c_void_p, c_char_p, c_char_p]
+    self.lib.lammps_set_string_variable.argtypes = [c_void_p, c_char_p, c_char_p]
+    self.lib.lammps_set_internal_variable.argtypes = [c_void_p, c_char_p, c_double]
 
     self.lib.lammps_has_style.argtypes = [c_void_p, c_char_p, c_char_p]
 
@@ -1252,6 +1254,8 @@ class lammps(object):
   def set_variable(self,name,value):
     """Set a new value for a LAMMPS string style variable
 
+    .. deprecated:: TBD
+
     This is a wrapper around the :cpp:func:`lammps_set_variable`
     function of the C-library interface.
 
@@ -1271,6 +1275,52 @@ class lammps(object):
 
   # -------------------------------------------------------------------------
 
+  def set_string_variable(self,name,value):
+    """Set a new value for a LAMMPS string style variable
+
+    .. versionadded:: TBD
+
+    This is a wrapper around the :cpp:func:`lammps_set_string_variable`
+    function of the C-library interface.
+
+    :param name: name of the variable
+    :type name: string
+    :param value: new variable value
+    :type value: any. will be converted to a string
+    :return: either 0 on success or -1 on failure
+    :rtype: int
+    """
+    if name: name = name.encode()
+    else: return -1
+    if value: value = str(value).encode()
+    else: return -1
+    with ExceptionCheck(self):
+      return self.lib.lammps_set_string_variable(self.lmp,name,value)
+
+  # -------------------------------------------------------------------------
+
+  def set_internal_variable(self,name,value):
+    """Set a new value for a LAMMPS internal style variable
+
+    .. versionadded:: TBD
+
+    This is a wrapper around the :cpp:func:`lammps_set_internal_variable`
+    function of the C-library interface.
+
+    :param name: name of the variable
+    :type name: string
+    :param value: new variable value
+    :type value: float or compatible. will be converted to float
+    :return: either 0 on success or -1 on failure
+    :rtype: int
+    """
+    if name: name = name.encode()
+    else: return -1
+    with ExceptionCheck(self):
+      return self.lib.lammps_set_internal_variable(self.lmp,name,value)
+
+  # -------------------------------------------------------------------------
+
   # return vector of atom properties gathered across procs
   # 3 variants to match src/library.cpp
   # name = atom property recognized by LAMMPS in atom->extract()