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src/Actions/MoleculeAction/SuspendInWaterAction.cpp
rbe21fa rf10b0c 44 44 mol = iter->second; 45 45 LOG(0, "Evaluating necessary cell volume for a cluster suspended in water."); 46 if (params.density < 1.0) {46 if (params.density.get() < 1.0) { 47 47 ELOG(1, "Density must be greater than 1.0g/cm^3!"); 48 48 } else { 49 PrepareClustersinWater(World::getInstance().getConfig(), mol, volume, params.density ); // if volume == 0, will calculate from ConvexEnvelope49 PrepareClustersinWater(World::getInstance().getConfig(), mol, volume, params.density.get()); // if volume == 0, will calculate from ConvexEnvelope 50 50 } 51 51 }
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