Changeset be20db for src/FunctionApproximation

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.

Location:

src/FunctionApproximation

Files:

• Extractors.cpp (modified) (1 diff)
• Extractors.hpp (modified) (2 diffs)
• FunctionArgument.hpp (modified) (1 diff)

src/FunctionApproximation/Extractors.cpp

@@ -96 +96 @@
 Extractors::elementcounts_t 
 Extractors::_detail::getElementCounts(
-    const Fragment::charges_t elements
+    const Fragment::atomicnumbers_t elements
   )
 {
   elementcounts_t elementcounts;
-  for (Fragment::charges_t::const_iterator elementiter = elements.begin();
+  for (Fragment::atomicnumbers_t::const_iterator elementiter = elements.begin();
       elementiter != elements.end(); ++elementiter) {
     // insert new element

src/FunctionApproximation/Extractors.hpp

@@ -39 +39 @@
 
   typedef size_t count_t;
-  typedef Fragment::charge_t element_t;
+  typedef Fragment::atomicNumber_t element_t;
   typedef std::map< element_t, count_t> elementcounts_t;
   typedef std::map< element_t, chargeiters_t > elementtargets_t;
   typedef std::vector< chargeiters_t > targets_per_combination_t;
   //!> typedef for particle designation
-  typedef int ParticleType_t;
+  typedef unsigned int ParticleType_t;
   //!> typedef for a vector of particle designations
   typedef std::vector<ParticleType_t> ParticleTypes_t;
@@ -59 +59 @@
      */
     elementcounts_t getElementCounts(
-        const Fragment::charges_t elements
+        const Fragment::atomicnumbers_t elements
         );
 

src/FunctionApproximation/FunctionArgument.hpp

@@ -33 +33 @@
   typedef std::pair<size_t, size_t> indices_t;
   //!> typedef for the underlying type of the particle
-  typedef int ParticleType_t;
+  typedef unsigned int ParticleType_t;
   //!> typedef for the two particle types of the argument
   typedef std::pair<ParticleType_t, ParticleType_t> types_t;