public bool CheckRow(Dictionary <string, string> row, Compound pubChem, CompoundData kegg) { var rowFormula = row["formula"]; var rowCas = row["cas"]; var rowMass = (int)double.Parse(row["mass"]); var pubFormula = ""; var pubMass = 0.0; if (pubChem != null) { pubFormula = pubChem.findProp("Molecular Formula").sval; pubMass = pubChem.findProp("MonoIsotopic").fval; } if (kegg != null) { var keggFormula = kegg.Formula; var keggExactMass = kegg.ExactMass; var keggCas = kegg.OtherId("CAS"); return(rowFormula == keggFormula && rowFormula == pubFormula && rowCas == keggCas && rowMass == (int)keggExactMass && rowMass == (int)pubMass); } return(rowFormula == pubFormula && rowMass == (int)pubMass); }
private string printKegg(CompoundData k) { if (k != null) { return($"{"KEGG",10}{k.KeggId,10}" + $"{(int)k.ExactMass,20}" + $"{k.Formula,20}{k.OtherId("CAS"),20}\n"); } return("No Kegg\n"); }