SCHWED-1786: documented functions for default compounds library

modules/conop/doc/compoundlib.rst

@@ -19,6 +19,20 @@ latest compound definitions, follow :ref:`these instructions <mmcif-convert>` to
 build the compound library manually.
 
 
+.. function:: GetDefaultLib()
+
+  :return: Default compound library set by :func:`SetDefaultLib`. If you got
+           OpenStructure as a bundle or you :ref:`compiled <cmake-flags>`  it
+           with a specified ``COMPOUND_LIB`` flag, this will return a compound
+           library when executing scripts with ``ost``.
+  :rtype:  :class:`CompoundLib`
+
+.. function:: SetDefaultLib(lib)
+
+  :param lib: Library to be set as default compound library.
+  :type lib:  :class:`CompoundLib`
+
+
 .. class:: CompoundLib
 
   .. staticmethod:: Load(database, readonly=True)
@@ -69,19 +83,15 @@ build the compound library manually.
 
   .. method:: GetOSTVersionUsed()
 
-     reads out ost_version_used from the table chemlib_info.
-
-     :returns: a version string
-
-     :rtype: :class:`String`
+     :return: OST version (ost_version_used from the table chemlib_info)
+     :rtype:  :class:`str`
 
   .. method:: GetCreationDate()
 
-     reads out creation_date from the table chemlib_info.
+     :return: creation date (creation_date from the table chemlib_info)
+     :rtype:  :class:`str`
 
-     :returns: a date string (Py), a Date (C++)
 
-     :rtype: :class:`String` (Py), :class:`Date`
 .. class:: Compound
 
   Holds the description of a chemical compound, such as three-letter-code, and

modules/doc/install.rst

@@ -118,6 +118,8 @@ On Windows you have to explicitly set the build generator to "Visual Studio 9 20
   cmake -G"Visual Studio 9 2008"
 
 
+.. _cmake-flags:
+
 Flags to Control the Dependencies
 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
 
@@ -141,7 +143,8 @@ By default, `CMake <http://cmake.org>`_ searches the standard directories for de
    of a certain residue or connectivities between atoms etc. The 
    :doc:`compound library <conop/compoundlib>` itself is created from the 
    component dictionary by calling the OpenStructure chemdict_tool. 
-   By default this is switched off.
+   By default this is switched off but it is highly recommended to provide a
+   compound library to use all features of OpenStructure.
 
  * `COMPILE_TMTOOLS` will activate bindings for TMAlign and TMScore, which are 
    then available at python level. This option requires a Fortran compiler.