geometry needs to be word rather than labels
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a5c29a9632
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1 changed files with 35 additions and 20 deletions
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@ -78,37 +78,52 @@ Foam::Particle::Particle(const dictionary& thermoDict, const dictionary& tranDic
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Zrot_(tranDict.lookupOrDefault("rotationalRelaxation", 0.0)),
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thermo_(thermoDict)
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{
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label geometry = 0;
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const entry* entryPtr = tranDict.lookupEntryPtr("tranlib", false, true);
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if (entryPtr)
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{
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scalarList tranlib(entryPtr->stream());
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geometry = tranlib[0];
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label geometry = tranlib[0];
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switch(geometry)
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{
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case 0:
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geometry_ = Geometry::ATOM;
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break;
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case 1:
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geometry_ = Geometry::LINEAR;
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break;
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case 2:
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geometry_ = Geometry::NONLINEAR;
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break;
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default:
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FatalErrorInFunction
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<< "Illegal molecule geometry type. 0, 1 and 2 are allowed."
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<< abort(FatalError);
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}
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}
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else
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{
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geometry = readLabel(tranDict.lookup("geometry"));
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}
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switch(geometry)
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{
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case 0:
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geometry_ = Geometry::ATOM;
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break;
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case 1:
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geometry_ = Geometry::LINEAR;
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break;
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case 2:
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geometry_ = Geometry::NONLINEAR;
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break;
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default:
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word gWord(tranDict.lookup("geometry"));
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if (gWord == "atom")
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{
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geometry_ = Geometry::ATOM;
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}
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else if (gWord == "linear")
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{
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geometry_ = Geometry::LINEAR;
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}
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else if (gWord == "nonlinear")
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{
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geometry_ = Geometry::NONLINEAR;
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}
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else
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{
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FatalErrorInFunction
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<< "Illegal molecule geometry type. 0, 1 and 2 are allowed."
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<< "Illegal molecule geometry type. atom, linear and nonlinear are allowed."
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<< abort(FatalError);
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}
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}
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}
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