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Viewing changes to .pc/hardening.patch/src/travis.cpp

  • Committer: Package Import Robot
  • Author(s): Daniel Leidert
  • Date: 2012-08-11 21:22:51 UTC
  • mfrom: (1.1.1)
  • Revision ID: package-import@ubuntu.com-20120811212251-omkcrd3fp3l6cebn
Tags: 120726-1
New upstream release.

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Lines of Context:
.pc/hardening.patch/src/travis.cpp
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                        o->m_pMSD->m_pMSD->LinReg(o->m_pMSD->m_pMSD->m_iResolution/2,o->m_pMSD->m_pMSD->m_iResolution-1,&c0,&c1,&r);
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                        mprintf("      MSD(t) = %.6f + %.6f * t   (units: [MSD] = pm^2, [t] = ps).\n",c0,c1);
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                        mprintf("           R = %.6f\n",r);
6644
 
                        mprintf("      Diffusion coefficient D = %.6f pm^2/ps  =  %G m^2/s.\n",c1/6.0,c1/6.0e9);
 
6644
                        mprintf("      Diffusion coefficient D = %.6f pm^2/ps  =  %G m^2/s.\n",c1/6.0,c1/6.0e12);
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                        mprintf("        (assuming <x^2> = 6 * D * t)\n\n");
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                }
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6647
 
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                {       
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                        mprintf(WHITE,"* Spatial Distribution Function\n");
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                        mprintf("    %.0f bin entries, %.0f out of bin range (%.2f percent).\n",o->m_pSDF->m_pSDF->m_fBinEntries,o->m_pSDF->m_pSDF->m_fSkipEntries,ZeroDivide(o->m_pSDF->m_pSDF->m_fSkipEntries,o->m_pSDF->m_pSDF->m_fBinEntries+o->m_pSDF->m_pSDF->m_fSkipEntries)*100.0);
7100
 
                        mprintf("    The averaged particle density of this observation is %.4f nm^-3.\n",o->m_pSDF->m_fParticleDensity);
7101
 
                        mprintf(WHITE,"    Bin values are given in nm^-3 (particle density).\n");
 
7100
                        o->m_pSDF->m_pSDF->CalcMaxEntry();
 
7101
                        mprintf("    Raw data range from %.0f to %.0f hits.\n",o->m_pSDF->m_pSDF->m_fMinEntry,o->m_pSDF->m_pSDF->m_fMaxEntry);
 
7102
                        mprintf("    The volume of one bin is %.3f pm^3.\n",pow(o->m_pSDF->m_fRadius*2.0/o->m_pSDF->m_iResolution,3));
 
7103
                        mprintf("    The uniform particle density of this observation is %.6f nm^-3.\n",o->m_pSDF->m_fParticleDensity);
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/*                      switch(g_iSDFScale)
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                        {
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                                case 0:
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                                        break;
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                                case 2:
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                                        mprintf("    Scaling values to nm^-3...\n");*/
7114
 
                                        o->m_pSDF->m_pSDF->MultiplyBin(pow(o->m_pSDF->m_iResolution/o->m_pSDF->m_fRadius*1000.0,3) / (double)g_iSteps / ((CMolecule*)g_oaMolecules[g_iFixMol])->m_laSingleMolIndex.GetSize() / o->m_pSDF->m_iShowAtomGes * (g_bDoubleBox?g_iDoubleBoxFactor:1));
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/*                                      break;
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                                case 3:
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                                        mprintf("    Scaling values relative to average particle density...\n");
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                                        o->m_pSDF->m_pSDF->MultiplyBin(pow(o->m_pSDF->m_iResolution/o->m_pSDF->m_fRadius*1000.0,3) / (double)g_iSteps / ((CMolecule*)g_oaMolecules[g_iFixMol])->m_laSingleMolIndex.GetSize() / o->m_pSDF->m_iShowAtomGes / o->m_pSDF->m_fParticleDensity * (g_bDoubleBox?g_iDoubleBoxFactor:1));
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                                        break;
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                        }*/
 
7122
 
 
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                        o->m_pSDF->m_pSDF->MultiplyBin(pow(o->m_pSDF->m_iResolution/o->m_pSDF->m_fRadius/2.0*1000.0,3) / (double)g_iSteps / ((CMolecule*)g_oaMolecules[g_iFixMol])->m_laSingleMolIndex.GetSize() / o->m_pSDF->m_iShowAtomGes * (g_bDoubleBox?g_iDoubleBoxFactor:1));
 
7124
 
 
7125
                        if (g_bSDFUniform)
 
7126
                        {
 
7127
                                o->m_pSDF->m_pSDF->MultiplyBin(1.0/o->m_pSDF->m_fParticleDensity);
 
7128
                                mprintf(WHITE,"    Bin values are given relative to this uniform particle density.\n");
 
7129
                        } else
 
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                        {
 
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                                mprintf(WHITE,"    Bin values are given in nm^-3 (particle density).\n");
 
7132
                        }
 
7133
                        o->m_pSDF->m_pSDF->CalcMaxEntry();
 
7134
                        mprintf("    Data range from %.6f to %.6f%s.\n",o->m_pSDF->m_pSDF->m_fMinEntry,o->m_pSDF->m_pSDF->m_fMaxEntry,g_bSDFUniform?"":" nm^-3");
 
7135
 
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                        if (o->m_pSDF->m_bInvert)
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                        {
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                                mprintf("    Inverting SDF...\n");
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                                        tempSDF->Smooth(z2);
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                                        sprintf(buf,".s%d%s.plt",z2,multibuf);
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                                } else sprintf(buf,"%s.plt",multibuf);
 
7164
                                tempSDF->CalcMaxEntry();
 
7165
                                mprintf("        Data range from %.6f to %.6f%s.\n",tempSDF->m_fMinEntry,tempSDF->m_fMaxEntry,g_bSDFUniform?"":" nm^-3");
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                                if (o->m_pSDF->m_bClipPlane)
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                                {
7151
 
                                        mprintf("    Creating Clip Plane in %c direction with value %.3f...\n",(o->m_pSDF->m_iClipDirection==0)?'X':((o->m_pSDF->m_iClipDirection==1)?'Y':'Z'),o->m_pSDF->m_fClipValue);
 
7168
                                        mprintf("        Creating Clip Plane in %c direction with value %.3f...\n",(o->m_pSDF->m_iClipDirection==0)?'X':((o->m_pSDF->m_iClipDirection==1)?'Y':'Z'),o->m_pSDF->m_fClipValue);
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                                        o->m_pSDF->m_pSDF->ClipPlane(o->m_pSDF->m_iClipDirection,o->m_pSDF->m_fClipValue);
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                                }
7154
 
                                mprintf("    Saving SDF as \"sdf_%s%s\"...\n",o->m_pSDF->m_sName,buf);
 
7171
                                mprintf("        Saving SDF as \"sdf_%s%s\"...\n",o->m_pSDF->m_sName,buf);
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                                tempSDF->WritePLT("sdf_",o->m_pSDF->m_sName,buf,true);
7156
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                                if (z2 != 0)
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                                        sprintf(buf,".s%d%s.cube",z2,multibuf);
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                                                else sprintf(buf,"%s.cube",multibuf);
7160
 
                                mprintf("    Saving SDF as \"sdf_%s%s\"...\n",o->m_pSDF->m_sName,buf);
 
7177
                                mprintf("        Saving SDF as \"sdf_%s%s\"...\n",o->m_pSDF->m_sName,buf);
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                                tempSDF->WriteCube("sdf_",o->m_pSDF->m_sName,buf,true);
7162
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                                if (o->m_pSDF->m_iHistogramRes != 0)
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                                        if (z2 != 0)
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                                                sprintf(buf,".s%d%s.csv",z2,multibuf);
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                                                        else sprintf(buf,"%s.csv",multibuf);
7168
 
                                        mprintf("    Saving SDF Histogram as \"his_sdf_%s%s\"...\n",o->m_pSDF->m_sName,buf);
 
7185
                                        mprintf("        Saving SDF Histogram as \"his_sdf_%s%s\"...\n",o->m_pSDF->m_sName,buf);
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                                        tempSDF->CalcHistogram();
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                                        tempSDF->WriteHistogram("his_sdf_",o->m_pSDF->m_sName,buf);
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                                }