| [1fd675] | 1 | /*
|
|---|
| 2 | * FragmentationAction.def
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Aug 26, 2010
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | // all includes and forward declarations necessary for non-integral types below
|
|---|
| [6ba9ba] | 9 | #include <boost/assign.hpp>
|
|---|
| [99b0dc] | 10 | #include <string>
|
|---|
| 11 | #include <vector>
|
|---|
| [1fd675] | 12 |
|
|---|
| [649aaa] | 13 | #include "Parameters/Validators/DummyValidator.hpp"
|
|---|
| [23958d] | 14 | #include "Parameters/Validators/GenericValidators.hpp"
|
|---|
| [ac9ca4] | 15 | #include "Parameters/Validators/RangeValidator.hpp"
|
|---|
| [23958d] | 16 | #include "Parameters/Validators/STLVectorValidator.hpp"
|
|---|
| 17 | #include "Parameters/Validators/Specific/BoxLengthValidator.hpp"
|
|---|
| 18 | #include "Parameters/Validators/Specific/ParserTypeValidator.hpp"
|
|---|
| [649aaa] | 19 |
|
|---|
| [1fd675] | 20 | // i.e. there is an integer with variable name Z that can be found in
|
|---|
| 21 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
|
|---|
| [6ba9ba] | 22 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
|
|---|
| [ac9ca4] | 23 | #define paramtypes (std::string)(double)(unsigned int)(bool)(bool)(std::vector<std::string>)(unsigned int)
|
|---|
| 24 | #define paramtokens ("fragment-molecule")("distance")("order")("DoSaturate")("ExcludeHydrogen")("output-types")("grid-level")
|
|---|
| 25 | #define paramdescriptions ("prefix of each fragment file")("distance in space")("order of a discretization, dissection, ...")("do saturate dangling bonds with hydrogen")("whether to exclude hydrogen in the bond graph dissection or not")("type(s) of parsers that output fragment config files")("resolution of density sampling multigrid")
|
|---|
| 26 | #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(true))(PARAM_DEFAULT(true))(NOPARAM_DEFAULT)(PARAM_DEFAULT(5))
|
|---|
| 27 | #define paramreferences (prefix)(distance)(order)(DoSaturation)(HowtoTreatHydrogen)(types)(level)
|
|---|
| [23958d] | 28 | #define paramvalids \
|
|---|
| 29 | (DummyValidator< std::string >()) \
|
|---|
| 30 | (BoxLengthValidator()) \
|
|---|
| 31 | (DummyValidator< unsigned int >()) \
|
|---|
| 32 | (DummyValidator< bool >()) \
|
|---|
| [9291d04] | 33 | (DummyValidator< bool >()) \
|
|---|
| [ac9ca4] | 34 | (STLVectorValidator< std::vector<std::string> >(0, 10, ParserTypeValidator())) \
|
|---|
| 35 | (RangeValidator< unsigned int >(1, 10))
|
|---|
| [1fd675] | 36 |
|
|---|
| 37 | #undef statetypes
|
|---|
| 38 | #undef statereferences
|
|---|
| 39 |
|
|---|
| 40 | // some defines for all the names, you may use ACTION, STATE and PARAMS
|
|---|
| 41 | #define CATEGORY Fragmentation
|
|---|
| [052bfd8] | 42 | #define MENUNAME "fragmentation"
|
|---|
| 43 | #define MENUPOSITION 3
|
|---|
| [1fd675] | 44 | #define ACTIONNAME Fragmentation
|
|---|
| [7811bf] | 45 | #define TOKEN "fragment-molecule"
|
|---|
| [1fd675] | 46 |
|
|---|
| [24fbf3] | 47 |
|
|---|
| 48 | // finally the information stored in the ActionTrait specialization
|
|---|
| 49 | #define DESCRIPTION "create for a given molecule into fragments up to given order"
|
|---|
| 50 | #define SHORTFORM "f"
|
|---|
