Changes in src/Actions/PotentialAction/FitPotentialAction.def [0ea063:95cfac]

File:

• src/Actions/PotentialAction/FitPotentialAction.def (modified) (2 diffs)

src/Actions/PotentialAction/FitPotentialAction.def

@@ -18 +18 @@
 #include "Parameters/Validators/Specific/ElementValidator.hpp"
 #include "Parameters/Validators/Specific/EmptyStringValidator.hpp"
+#include "Parameters/Validators/Specific/FileSuffixValidator.hpp"
+#include "Parameters/Validators/Specific/FilePresentValidator.hpp"
 #include "Parameters/Validators/Specific/PotentialTypeValidator.hpp"
 
@@ -23 +25 @@
 // 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)(std::string)(std::vector<const element *>)(std::vector<const element *>)(unsigned int)(double)
-#define paramtokens ("training-file")("potential-type")("potential-charges")("fragment-charges")("take-best-of")("set-threshold")
-#define paramdescriptions ("optional file to write training data to")("potential type to fit")("charges specifying the potential")("charges specifying the fragment")("take the best among this many approximations")("Require L2 error to be smaller than threshold, overrides number of attempts")
-#define paramdefaults (PARAM_DEFAULT(""))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(3))(PARAM_DEFAULT(1.))
-#define paramreferences (training_file)(potentialtype)(charges)(fragment)(best_of_howmany)(threshold)
+#define paramtypes (boost::filesystem::path)(std::string)(boost::filesystem::path)(std::vector<const element *>)(std::vector<const element *>)(unsigned int)(double)
+#define paramtokens ("training-file")("potential-type")("potential-file")("potential-charges")("fragment-charges")("take-best-of")("set-threshold")
+#define paramdescriptions ("optional file to write training data to")("potential type to fit")("optional potential file specifying multiple potentials to fit")("charges specifying the potential")("charges specifying the fragment")("take the best among this many approximations")("Require L2 error to be smaller than threshold, overrides number of attempts")
+#define paramdefaults (PARAM_DEFAULT(""))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(3))(PARAM_DEFAULT(1.))
+#define paramreferences (training_file)(potentialtype)(potential_file)(charges)(fragment)(best_of_howmany)(threshold)
 #define paramvalids \
 (DummyValidator<boost::filesystem::path>()) \
-(PotentialTypeValidator()) \
+(EmptyStringValidator() || PotentialTypeValidator()) \
+(!FilePresentValidator() || FileSuffixValidator("potentials")) \
 (STLVectorValidator< std::vector<const element *> >(0,99, ElementValidator())) \
 (STLVectorValidator< std::vector<const element *> >(1,99, ElementValidator())) \