Bundles templats and allow coordgen to run without maeparser.
Now templates are always bundled into the coordgen library,
so there is no search on the file system. coordgen can also
be built without maeparser support (USE_MAEPARSER=OFF). This
disables user-local template files, but it allows coordgen
to be built without reliance on the maeparser library
(and therefore without boost).
This is useful for a couple of reasons:
We definitely see bugs in template discovery
3rd party packagers seem to have trouble with
building maeparser.
Allow use in other novel places that can't use
the boost:: infrastructure required by
maeparser.
maeparser is always required for running the unit tests.
Includes a short Python script for generating the C++ files
describing the templates. This Python script currently requires
use of the Schrodinger Python tools, so it will need to be
manually updated if the templates are updated. There is a test (#53)
that will fail if a new template is added but isn't added to
the compiled templates.
run it like:
$SCHRODINGER/run mol_generator.py templates.mae
maeparser is always required for running the unit tests.
Note to reviewers
One of the commits here is entirely autogenerated code. I'd recommend avoiding looking at it because it is very long and duplicative, unless it is helpful in reading the Python file that is used to generate the code.
See internal Schrödinger rationale here: https://jira.schrodinger.com/browse/CRDGEN-252
Bundles templats and allow coordgen to run without maeparser.
Now templates are always bundled into the coordgen library, so there is no search on the file system. coordgen can also be built without maeparser support (USE_MAEPARSER=OFF). This disables user-local template files, but it allows coordgen to be built without reliance on the maeparser library (and therefore without boost).
This is useful for a couple of reasons:
maeparser is always required for running the unit tests.
Includes a short Python script for generating the C++ files describing the templates. This Python script currently requires use of the Schrodinger Python tools, so it will need to be manually updated if the templates are updated. There is a test (#53) that will fail if a new template is added but isn't added to the compiled templates.
run it like:
maeparser is always required for running the unit tests.
Note to reviewers One of the commits here is entirely autogenerated code. I'd recommend avoiding looking at it because it is very long and duplicative, unless it is helpful in reading the Python file that is used to generate the code.