Add_FitFragmentPartialChargesAction
Fix_ChargeSampling_PBC
Fix_FitPartialCharges
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Last change
on this file since 4d08b7 was 80f678, checked in by Frederik Heber <heber@…>, 10 years ago |
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FIX: Added Parameters Value_Elements to correctly set vector of elements from string.
- this fixes that fit-potential action is not correctly called from python
scripts. There, we require correct setter of a value from a given string.
As all arguments to a python command must be given as single string,
even if it is a vector of arguments, we must correctly decode this string
again.
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Property mode
set to
100644
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File size:
731 bytes
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| 1 | /*
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| 2 | * Value_element.hpp
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| 3 | *
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| 4 | * Created on: Sep 10, 2014
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef VALUE_ELEMENT_HPP_
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| 9 | #define VALUE_ELEMENT_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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| 16 |
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| 17 | #include <string>
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| 18 |
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| 19 | #include "Parameters/Value.hpp"
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| 20 |
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| 21 | // This overrides string conversions for the type element which need a specific function call.
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| 22 |
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| 23 | template <>
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| 24 | bool Value<const element *>::isValidAsString(const std::string &_value) const throw(ParameterValidatorException);
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| 25 |
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| 26 | template <>
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| 27 | const std::string Value<const element *>::getAsString() const throw(ParameterValueException);
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| 28 |
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| 29 | template <>
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| 30 | void Value<const element *>::setAsString(const std::string &_value) throw(ParameterException);
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| 31 |
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| 32 |
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| 33 | #endif /* VALUE_ELEMENT_HPP_ */
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