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#include "types/DirectionalAtomType.hpp" |
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#include "UseTheForce/DarkSide/electrostatic_interface.h" |
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#include "UseTheForce/DarkSide/sticky_interface.h" |
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+ |
#include "UseTheForce/DarkSide/gb_interface.h" |
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#include "utils/simError.h" |
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namespace oopse { |
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|
169 |
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if (stickyData != NULL) { |
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StickyParam stickyParam = stickyData->getData(); |
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|
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– |
/**@todo change fortran interface */ |
172 |
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//makeStickyType(&atp.ident, &stickyParam.w0, &stickyParam.v0, &stickyParam.v0p, &stickyParam.rl, |
173 |
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// &stickyParam.ru, &stickyParam.rlp, &stickyParam.rup); |
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newStickyType(&atp.ident,&stickyParam.w0, &stickyParam.v0, &stickyParam.v0p, &stickyParam.rl, |
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&stickyParam.ru, &stickyParam.rlp, &stickyParam.rup, &isError); |
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if (isError != 0) { |
195 |
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} |
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|
|
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//setup GayBerne type in fortran side |
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if (isGayBerne()) { |
199 |
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data = getPropertyByName("GayBerne"); |
200 |
+ |
if (data != NULL) { |
201 |
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GayBerneParamGenericData* gayBerneData = dynamic_cast<GayBerneParamGenericData*>(data); |
202 |
|
|
203 |
< |
} |
203 |
> |
if (gayBerneData != NULL) { |
204 |
> |
GayBerneParam gayBerneParam = gayBerneData->getData(); |
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|
|
206 |
+ |
/**@todo change fortran interface */ |
207 |
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//makeGayBerneType(&atp.ident, &gayBerneParam.w0, &gayBerneParam.v0, &gayBerneParam.v0p, &gayBerneParam.rl, |
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// &gayBerneParam.ru, &gayBerneParam.rlp, &gayBerneParam.rup); |
209 |
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newGayBerneType(&gayBerneParam.GB_sigma, &gayBerneParam.GB_12b_ratio, &gayBerneParam.GB_eps, |
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&gayBerneParam.GB_eps_ratio, &gayBerneParam.GB_mu, &gayBerneParam.GB_nu); |
211 |
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if (isError != 0) { |
212 |
+ |
sprintf( painCave.errMsg, |
213 |
+ |
"Fortran rejected newGayBernetype\n"); |
214 |
+ |
painCave.severity = OOPSE_ERROR; |
215 |
+ |
painCave.isFatal = 1; |
216 |
+ |
simError(); |
217 |
+ |
} |
218 |
+ |
|
219 |
+ |
} |
220 |
+ |
|
221 |
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else { |
222 |
+ |
sprintf( painCave.errMsg, |
223 |
+ |
"Can not cast GenericData to GayBerneParam\n"); |
224 |
+ |
painCave.severity = OOPSE_ERROR; |
225 |
+ |
painCave.isFatal = 1; |
226 |
+ |
simError(); |
227 |
+ |
} |
228 |
+ |
} |
229 |
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else { |
230 |
+ |
sprintf( painCave.errMsg, "Can not find Parameters for GayBerne\n"); |
231 |
+ |
painCave.severity = OOPSE_ERROR; |
232 |
+ |
painCave.isFatal = 1; |
233 |
+ |
simError(); |
234 |
+ |
} |
235 |
+ |
} |
236 |
+ |
} |
237 |
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|
238 |
|
|
239 |
+ |
|
240 |
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} //end namespace oopse |