Changeset be20db for src/documentation/constructs

Timestamp:

Oct 3, 2016, 11:13:32 AM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Fix_FitPotential_needs_atomicnumbers

Children:

0b7036

Parents:

c93e58

git-author:

Frederik Heber <heber@…> (10/03/16 10:35:00)

git-committer:

Frederik Heber <heber@…> (10/03/16 11:13:32)

Message:

ParticleType_t is now an unsigned int.

• this allows direct use of atomicNumber_t and also signed integers dont' make much sense for a particle type, i.e. an id.

File:

• src/documentation/constructs/potentials.dox (modified) (2 diffs)

src/documentation/constructs/potentials.dox

@@ -158 +158 @@
  *  HomologyContainer homologies;
  *  const HomologyGraph graph = getSomeGraph(homologies);
- *  Fragment::charges_t h2o;
+ *  Fragment::atomicnumbers_t h2o;
  *  h2o += 8,1,1;
  *  // TrainingData needs so called Extractors to get the required distances
@@ -165 +165 @@
  *      boost::bind(&Extractors::gatherDistancesFromFragment,
  *          boost::bind(&Fragment::getPositions, _1),
- *          boost::bind(&Fragment::getCharges, _1),
+ *          boost::bind(&Fragment::getAtomicNumbers, _1),
  *          boost::cref(h2o),
  *          _2)