Changeset 8d56a6 for doc/userguide

Timestamp:

Jun 21, 2018, 8:31:25 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.6.1, ChemicalSpaceEvaluator

Children:

d83d64, f5ea10

Parents:

3e334e (diff), 4fc0ea (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'TremoloParser_IncreasedPrecision' into Candidate_v1.6.1

Conflicts:

tests/Python/ForceAnnealing/post/five_carbon_test_bondgraph.data
tests/Python/ForceAnnealing/post/five_carbon_test_no-bondgraph.data

File:

• doc/userguide/userguide.xml (modified) (2 diffs)

doc/userguide/userguide.xml

@@ -2669 +2669 @@
           the python interface described below, i.e. it is a full python script
           (that however requires the so-called <emphasis role="italic">pyMoleCuilder</emphasis> module).</para>
+          <note>The python session will store a file with python commands using named arguments. As some actions have quite
+          a number of arguments, all of them end up in a single function call. This makes it very hazard-prone to mix them up.
+          Therefore, it is <emphasis>strongly</emphasis> recommended to always use named arguments in python scripts
+          when employing MoleCuilder commands.</note>
+          <para>When using named arguments for MoleCuilder commands in Python scripts, remember that dashes ("-") in
+          argument names have been converted to underscores ("_") as the former characters are illegal. Apart from that
+          the argument names resemble exactly the token names as encountered on the command line, e.g.
+          <programlisting>
+          pyMoleCuilder.CommandVerbose(verbose="1")
+          ...
+          </programlisting>
+          where the keyword argument "verbose" is for the Action that changes MoleCuilder's output verbosity. Also,
+          you see that arguments are always given as string.
+          </para>
         </section>
         <section xml:id="sessions.load-session">
@@ -3058 +3072 @@
       <para>Therefore, more complex python scripts need to be called with
       python and a set PYTHONPATH as described above.</para>
+          <note>It is <emphasis>strongly</emphasis> recommended to always use named arguments in python scripts
+          when employing MoleCuilder commands. As commands tend to have many arguments, it is very easy to mix
+          them up as python is not a strongly typed language.</note>
     </section>
   </chapter>