message: Catch molgrid exception and report something useful
diff: @@ -611,7 +611,16 @@ void MolGridDataLayer<Dtype>::set_grid_ex(Dtype *data, const Example& ex,
  minfo.setLigand(ex.sets[pose+1], gpu);
  }
  + try {
  set_grid_minfo(data, minfo, peturb, gpu, keeptransform);
  + } catch(...) {
  + LOG(WARNING) << "Error processing";
  + for(unsigned i = 0, n = ex.sets.size(); i < n; i++) {
  + if(ex.sets[i].src) LOG(WARNING) << " " << ex.sets[i].src;
  + }
  + LOG(WARNING) << "\n";
  + throw;
  + }
  }
  