ESS_GUIESS_GUI_DocsESS_GUI_batch_fittingESS_GUI_bumps_abstractionESS_GUI_iss1116ESS_GUI_iss879ESS_GUI_iss959ESS_GUI_openclESS_GUI_orderingESS_GUI_sync_sascalccostrafo411magnetic_scattrelease-4.1.1release-4.1.2release-4.2.2release_4.0.1ticket-1009ticket-1094-headlessticket-1242-2d-resolutionticket-1243ticket-1249ticket885unittest-saveload
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Last change
on this file since aa639ea was
aa639ea,
checked in by Mathieu Doucet <doucetm@…>, 11 years ago
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Move simulation code (unused)
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Property mode set to
100644
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File size:
837 bytes
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| 1 | #include "complex_model.h" |
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| 2 | #include "lores_model.h" |
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| 3 | #include "sphere.h" |
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| 4 | #include "pdb_model.h" |
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| 5 | #include <vector> |
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| 6 | #include "Point3D.h" |
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| 7 | #include <string> |
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| 8 | |
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| 9 | int main(){ |
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| 10 | |
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| 11 | //Get a few points from a lores model |
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| 12 | vector<Point3D> vplores; |
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| 13 | LORESModel lm(0.1); |
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| 14 | Sphere s1(10); |
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| 15 | lm.Add(s1,1); |
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| 16 | lm.GetPoints(vplores); |
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| 17 | |
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| 18 | //get a few points from a pdb model |
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| 19 | vector<Point3D> vppdb; |
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| 20 | string pdbfile("ff0.pdb"); |
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| 21 | PDBModel p1; |
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| 22 | p1.AddPDB(pdbfile); |
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| 23 | p1.GetPoints(vppdb); |
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| 24 | //should be error,argument vector has to be empty |
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| 25 | //p1.GetPoints(vppdb); |
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| 26 | |
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| 27 | //merge points |
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| 28 | vector<Point3D> vptotal; |
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| 29 | ComplexModel cm; |
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| 30 | cm.Add(&lm); |
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| 31 | cm.Add(&p1); |
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| 32 | cout << "boundary"<< cm.GetDimBound() <<endl; |
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| 33 | |
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| 34 | cm.GetPoints(vptotal); |
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| 35 | |
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| 36 | cm.DistDistribution(vptotal); |
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| 37 | cm.OutputPR("testcomplexcc.pr"); |
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| 38 | //pm.AddPoints(vptotal,vplores,vppdb); |
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| 39 | |
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| 40 | return 0; |
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| 41 | } |
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