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src/Actions/PotentialAction/FitPotentialAction.def
r95cfac r5eaa23 18 18 #include "Parameters/Validators/Specific/ElementValidator.hpp" 19 19 #include "Parameters/Validators/Specific/EmptyStringValidator.hpp" 20 #include "Parameters/Validators/Specific/FileSuffixValidator.hpp"21 20 #include "Parameters/Validators/Specific/FilePresentValidator.hpp" 22 21 #include "Parameters/Validators/Specific/PotentialTypeValidator.hpp" … … 27 26 #define paramtypes (boost::filesystem::path)(std::string)(boost::filesystem::path)(std::vector<const element *>)(std::vector<const element *>)(unsigned int)(double) 28 27 #define paramtokens ("training-file")("potential-type")("potential-file")("potential-charges")("fragment-charges")("take-best-of")("set-threshold") 29 #define paramdescriptions ("optional file to write training data to")("potential type to fit")(" optionalpotential 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")28 #define paramdescriptions ("optional file to write training data to")("potential type to fit")("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") 30 29 #define paramdefaults (PARAM_DEFAULT(""))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(3))(PARAM_DEFAULT(1.)) 31 30 #define paramreferences (training_file)(potentialtype)(potential_file)(charges)(fragment)(best_of_howmany)(threshold) … … 33 32 (DummyValidator<boost::filesystem::path>()) \ 34 33 (EmptyStringValidator() || PotentialTypeValidator()) \ 35 ( !FilePresentValidator() || FileSuffixValidator("potentials")) \34 (DummyValidator<boost::filesystem::path>()) \ 36 35 (STLVectorValidator< std::vector<const element *> >(0,99, ElementValidator())) \ 37 36 (STLVectorValidator< std::vector<const element *> >(1,99, ElementValidator())) \
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