Changeset 9bb977

Timestamp:

May 18, 2016, 10:04:49 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

CombiningParticlePotentialParsing

Children:

928f65

Parents:

8dcfb9

git-author:

Frederik Heber <heber@…> (03/10/16 11:58:53)

git-committer:

Frederik Heber <heber@…> (05/18/16 22:04:49)

Message:

ParsePotentialsAction now uses TremoloPotentialFileParser.

File:

• src/Actions/PotentialAction/ParsePotentialsAction.cpp (modified) (2 diffs)

src/Actions/PotentialAction/ParsePotentialsAction.cpp

@@ -47 +47 @@
 #include "CodePatterns/Log.hpp"
 
-#include "Potentials/EmpiricalPotential.hpp"
-#include "Potentials/Exceptions.hpp"
-#include "Potentials/PotentialFactory.hpp"
-#include "Potentials/PotentialRegistry.hpp"
-#include "Potentials/RegistryDeserializer.hpp"
+#include "Potentials/TremoloPotentialFileParser.hpp"
 
 using namespace MoleCuilder;
@@ -65 +61 @@
     std::ifstream returnstream(params.potential_file.get().string().c_str());
     if (returnstream.good()) {
-      std::string linestring;
-      std::string token;
-      while (returnstream.good()) {
-        getline(returnstream, linestring);
-        const std::string comment("#");
-        if (linestring.find(comment) != std::string::npos) {
-          LOG(4, "DEBUG: Skippeing comment line:"+linestring);
-          continue;
-        }
-        const std::string whitespace(" \t");
-        const size_t strBegin = linestring.find_first_not_of(whitespace);
-        const size_t curlyopenpos = linestring.find("{");
-        const size_t curlyclosedpos = linestring.find("}");
-        if (curlyopenpos != std::string::npos) {
-          // begin of new type section
-          token = linestring.substr(strBegin, curlyopenpos);
-          const size_t tokenEnd = token.find_first_of(whitespace);
-          token = token.substr(0, tokenEnd);
-          LOG(1, "INFO: Token is " << token);
-          const type_name_map_t::right_const_iterator tokeniter = TypeNameMap.right.find(token);
-          ASSERT( tokeniter != TypeNameMap.right.end(),
-              "PotentialParsePotentialsAction::performCall() - could not find type to "
-              +toString(token)+".");
-          const tokentype_t tokentype = tokeniter->second;
-          // get either particles {} or potentials {}
-          switch (tokentype) {
-            case particles:
-            {
-              if (!parseItems<Particle>(
-                    returnstream,
-                    ParticleFactory::getInstance(),
-                    ParticleRegistry::getInstance(),
-                    std::string("particle")))
-                return Action::failure;
-              break;
-            }
-            case bonds:
-            case angles:
-            case torsions:
-            case impropers:
-            case nonbonded_2body_potentials:
-            {
-              if (!parseItems<EmpiricalPotential>(
-                  returnstream,
-                  PotentialFactory::getInstance(),
-                  PotentialRegistry::getInstance(),
-                  std::string("potential")))
-                return Action::failure;
-              break;
-            }
-            default:
-              ASSERT( 0,
-                  "PotentialParsePotentialsAction::performCall() - token type "
-                  +toString(tokentype)+" is unknown.");
-          }
-        } else if (curlyclosedpos != std::string::npos) {
-          // section end encountered, just read next line
-        } else {
-          ELOG(0, "Parser confused, neither curly open nor curly closed on line "
-              << linestring);
-          return Action::failure;
-        }
-      }
+      if (!TremoloPotentialFileParser::parsePotentials(returnstream))
+        return Action::failure;
     } else {
       STATUS("Failed to parse from "+params.potential_file.get().string()+".");