diff --git a/src/mol-script/transpilers/rasmol/parser.ts b/src/mol-script/transpilers/rasmol/parser.ts index bacd5fec962977e45df997460952299c7171a111..605d46710ae2d10395ade7676e1f2baca20ab20b 100644 --- a/src/mol-script/transpilers/rasmol/parser.ts +++ b/src/mol-script/transpilers/rasmol/parser.ts @@ -40,24 +40,24 @@ function atomSelectionQuery2(x: any) { if (!ps) { const [resno, inscode, chainname, atomname, altloc] = x[1]; const tests: AtomGroupArgs = {}; - + if (chainname) { - // should be configurable, there is an option in Jmol to use auth or label - tests['chain-test'] = B.core.rel.eq([B.ammp('auth_asym_id'), chainname]); + // should be configurable, there is an option in Jmol to use auth or label + tests['chain-test'] = B.core.rel.eq([B.ammp('auth_asym_id'), chainname]); } - + const resProps = []; if (resno) resProps.push(B.core.rel.eq([B.ammp('auth_seq_id'), resno])); if (inscode) resProps.push(B.core.rel.eq([B.ammp('pdbx_PDB_ins_code'), inscode])); if (resProps.length) tests['residue-test'] = h.andExpr(resProps); - + const atomProps = []; if (atomname) atomProps.push(B.core.rel.eq([B.ammp('auth_atom_id'), atomname])); if (altloc) atomProps.push(B.core.rel.eq([B.ammp('label_alt_id'), altloc])); if (atomProps.length) tests['atom-test'] = h.andExpr(atomProps); - - return B.struct.generator.atomGroups(tests); -// throw new Error(`property '${k}' not supported, value '${x[k]}'`); + + return B.struct.generator.atomGroups(tests); + // throw new Error(`property '${k}' not supported, value '${x[k]}'`); } if (x[k] === null) continue; if (!props[ps.level]) props[ps.level] = []; @@ -280,13 +280,13 @@ const lang = P.MonadicParser.createLanguage({ ) ); }, - - AtomPrefix: () => P.MonadicParser.regexp(/[0-9:^%/.]/).desc('atom-prefix'), + + AtomPrefix: () => P.MonadicParser.regexp(/[0-9:^%/.]/).desc('atom-prefix'), Chainname: () => P.MonadicParser.regexp(/:([A-Za-z]{1,3})/, 1).desc('chainname'), Model: () => P.MonadicParser.regexp(/\/([0-9]+)/, 1).map(Number).desc('model'), Element: () => P.MonadicParser.regexp(/_([A-Za-z]{1,3})/, 1).desc('element'), Atomname: () => P.MonadicParser.regexp(/\.([a-zA-Z0-9]{1,4})/, 1).map(B.atomName).desc('atomname'), - Resname: () => P.MonadicParser.regexp(/[A-Z0-9]{1,4}/).desc('resname'), + Resname: () => P.MonadicParser.regexp(/[A-Z0-9]{1,4}/).desc('resname'), Resno: (r: any) => r.Integer.desc('resno'), Altloc: () => P.MonadicParser.regexp(/%([a-zA-Z0-9])/, 1).desc('altloc'), Inscode: () => P.MonadicParser.regexp(/\^([a-zA-Z0-9])/, 1).desc('inscode'),