Changeset 58787b for src/Actions/MoleculeAction/ForceAnnealingAction.def

Timestamp:

Jul 20, 2017, 9:38:37 AM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued

Children:

539845

Parents:

7d2364

git-author:

Frederik Heber <frederik.heber@…> (05/19/17 14:29:40)

git-committer:

Frederik Heber <frederik.heber@…> (07/20/17 09:38:37)

Message:

ForceAnnealing now shifts atoms in the bond graph to anneal forces, too.

File:

• src/Actions/MoleculeAction/ForceAnnealingAction.def (modified) (1 diff)

src/Actions/MoleculeAction/ForceAnnealingAction.def

@@ -16 +16 @@
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
-#define paramtypes (boost::filesystem::path)(unsigned int)(bool)
-#define paramtokens ("forces-file")("steps")("output-every-step")
-#define paramdescriptions ("file containing")("fixed number of optimization steps to be performed")("whether WorldTime should be increased and output written after every step, useful if optimization might hang")
-#define paramdefaults (PARAM_DEFAULT(""))(NOPARAM_DEFAULT)(PARAM_DEFAULT("0"))
-#define paramreferences (forcesfile)(steps)(DoOutput)
+#define paramtypes (boost::filesystem::path)(unsigned int)(bool)(int)
+#define paramtokens ("forces-file")("steps")("output-every-step")("max-distance")
+#define paramdescriptions ("file containing")("fixed number of optimization steps to be performed")("whether WorldTime should be increased and output written after every step, useful if optimization might hang")("maximum distance to which bond graph is taken into account")
+#define paramdefaults (PARAM_DEFAULT(""))(NOPARAM_DEFAULT)(PARAM_DEFAULT("0"))(PARAM_DEFAULT(0))
+#define paramreferences (forcesfile)(steps)(DoOutput)(MaxDistance)
 #define paramvalids \
 (DummyValidator< boost::filesystem::path >()) \
 (NotZeroValidator< unsigned int >()) \
-(DummyValidator<bool>())
+(DummyValidator<bool>()) \
+(DummyValidator< int >())
 
 #define statetypes (std::vector<AtomicInfo>)(std::vector<AtomicInfo>)