Fix_FitPartialCharges
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Last change
on this file since eaf08f was f8bccc, checked in by Frederik Heber <heber@…>, 11 years ago |
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FIX: QtQueryList now works with pointers, FileQtQuery gives name of file.
- FileQtQuery always said "input-file:" which becomes ambigious when multiple
files are queried in a single dialog.
- Value_string was a specialization for string type. This was used to also
specialize for element type (and also for atom and molecule type).
- This automatically fixes problems where QtQueryList would show memory
addresses in the list instead of e.g. element names. This occurs because
toString() is used on the pointer, now getName() is called.
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Property mode
set to
100644
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File size:
707 bytes
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| [f8bccc] | 1 | /*
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| 2 | * Value_atom.hpp
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| 3 | *
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| 4 | * Created on: Sep 11, 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_ATOM_HPP_
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| 9 | #define VALUE_ATOM_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 atom 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 atom *>::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 atom *>::getAsString() const throw(ParameterValueException);
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| 28 |
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| 29 | template <>
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| 30 | void Value<const atom *>::setAsString(const std::string &_value) throw(ParameterException);
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| 31 |
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| 32 |
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| 33 | #endif /* VALUE_ATOM_HPP_ */
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