diff --git a/src/mol-script/transpilers/pymol/properties.ts b/src/mol-script/transpilers/pymol/properties.ts
index 5b2b068ddce190213a17e661df728d67177a8a8c..63f617b4a961e5f03509f80bade337c6492808b1 100644
--- a/src/mol-script/transpilers/pymol/properties.ts
+++ b/src/mol-script/transpilers/pymol/properties.ts
@@ -19,8 +19,28 @@ function rangeMap(x: string) {
return { min, max };
}
function listOrRangeMap(x: string) {
- return x.includes('-') ? rangeMap(x) : listMap(x).map(x => parseInt(x));
+ if (x.includes('-') && x.includes('+')){
+ const pSplit = x.split('+').map(x => x.replace(/^["']|["']$/g, ''));
+ const res : number[] =[];
+ pSplit.forEach( x => {
+ if (x.includes('-')){
+ const [min, max] = x.split('-').map(x=>parseInt(x));
+ for (var i = min; i <= max; i++){
+ res.push(i);
+ }
+ }else{
+ res.push(parseInt(x));
+ }
+ });
+ console.log(res)
+ return res;
+ }else if(x.includes('-') && !x.includes('+')){
+ return rangeMap(x)
+ }else if(!x.includes('-') && x.includes('+')){
+ return listMap(x)
+ }
}
+
function elementListMap(x: string) {
return x.split('+').map(B.struct.type.elementSymbol);
}
diff --git a/src/mol-script/transpilers/rasmol/operators.ts b/src/mol-script/transpilers/rasmol/operators.ts
index 0344052e94ac204f39a56b4a36a30c5b15c4aec6..0074a7625d8ffc5d89b27b922b4cac14ae8aa963 100644
--- a/src/mol-script/transpilers/rasmol/operators.ts
+++ b/src/mol-script/transpilers/rasmol/operators.ts
@@ -38,7 +38,7 @@ export const operators: OperatorList = [
'@examples': ['ASP or GLU'],
name: 'or',
type: h.binaryLeft,
- rule: h.infixOp(/OR|\|/i),
+ rule: h.infixOp(/OR|\||\|\|/i),
map: (op, s1, s2) => B.struct.combinator.merge([s1, s2])
}
];
diff --git a/src/mol-script/transpilers/rasmol/parser.ts b/src/mol-script/transpilers/rasmol/parser.ts
index 068e72002d67c0ae4dd265d90693dacc391b3e3c..f28e713df8b674196dfdc9a8ff52e0e465dbd748 100644
--- a/src/mol-script/transpilers/rasmol/parser.ts
+++ b/src/mol-script/transpilers/rasmol/parser.ts
@@ -32,8 +32,8 @@ const dot = P.MonadicParser.string('.');
const colon = P.MonadicParser.string(':');
const comma = P.MonadicParser.string(',');
const star = P.MonadicParser.string('*');
-const bra = P.MonadicParser.string('[');
-const ket = P.MonadicParser.string(']');
+const bra = P.MonadicParser.string('(');
+const ket = P.MonadicParser.string(')');
const numbers = P.MonadicParser.regexp(/[0-9]/);
/* is Parser -> MonadicParser substitution correct? */
@@ -167,21 +167,26 @@ const lang = P.MonadicParser.createLanguage({
Expression: function (r: any) {
return P.MonadicParser.alt(
- // r.NamedAtomProperties,
-// r.AtomExpression.map(atomExpressionQuery),
- r.AtomSelectionMacro.map(atomSelectionQuery2),
-// r.AtomSelectionMacroResi.map(atomSelectionQuery2),
// r.Keywords,
-// r.Resno.lookahead(P.MonadicParser.regexp(/\s*(?!(LIKE|>=|<=|!=|[:^%/.=><]))/i)).map((x: any) => B.struct.generator.atomGroups({
-// 'residue-test': B.core.rel.eq([B.ammp('auth_seq_id'), x])
+// r.ValueQuery,
+ r.AtomSelectionMacro.map(atomSelectionQuery2),
+ r.AtomSelectionMacroResi.map(atomSelectionQuery2),
+// r.NamedAtomProperties,
+
+
+ // r.Resno.lookahead(P.MonadicParser.regexp(/\s*(?!(LIKE|>=|<=|!=|[:^%/.=><]))/i)).map((x: any) => B.struct.generator.atomGroups({
+ // 'residue-test': B.core.rel.eq([B.ammp('auth_seq_id'), x])
+// })),
+// r.Atomno.lookahead(P.MonadicParser.regexp(/\s*(?!(LIKE|>=|<=|!=|[:^%/.=><]))/i)).map((x: any) => B.struct.generator.atomGroups({
+ // 'atom-test': B.core.rel.eq([B.ammp('id'), x])
// })),
-// r.ValueQuery,
- // r.Element.map((x: string) => B.struct.generator.atomGroups({
+
+// r.Element.map((x: string) => B.struct.generator.atomGroups({
// 'atom-test': B.core.rel.eq([B.acp('elementSymbol'), B.struct.type.elementSymbol(x)])
- // })),
- // r.Resname.map((x: string) => B.struct.generator.atomGroups({
- // 'residue-test': B.core.rel.eq([B.ammp('label_comp_id'), x])
- // })),
+// })),
+// r.Resname.map((x: string) => B.struct.generator.atomGroups({
+// 'residue-test': B.core.rel.eq([B.ammp('label_comp_id'), x])
+// })),
);
},
@@ -215,40 +220,44 @@ const lang = P.MonadicParser.createLanguage({
).map(x => { return {name: x[0] }; }),
)),
// 1-100 lys:a.ca lys:a lys lys.ca
-// numbers.then(P.MonadicParser.alt(
-// P.MonadicParser.alt(
-// P.MonadicParser.seq(
-// orNull(propertiesDict.resi),
-// ).map(x => { return { resi: x[0] };})
-// ))),
- P.MonadicParser.alt(
- P.MonadicParser.seq(
- orNull(propertiesDict.resn).skip(colon),
- orNull(propertiesDict.chain).skip(dot),
- orNull(propertiesDict.name)
- ).map(x => { return { resn: x[0], chain: x[1], name: x[2] }; }),
- P.MonadicParser.seq(
- orNull(propertiesDict.resn).skip(star),
- orNull(propertiesDict.chain).skip(dot),
- orNull(propertiesDict.name)
- ).map(x => { return { resn: x[0], chain: x[1], name: x[2] }; }),
- P.MonadicParser.seq(
- orNull(propertiesDict.resn).skip(colon),
- orNull(propertiesDict.chain),
- ).map(x => { return { resn: x[0], chain: x[1] }; }),
- P.MonadicParser.seq(
- orNull(propertiesDict.resn).skip(star),
- orNull(propertiesDict.chain),
- ).map(x => { return { resn: x[0], chain: x[1] }; }),
- P.MonadicParser.seq(
- orNull(propertiesDict.resn).skip(dot),
- orNull(propertiesDict.name),
- ).map(x => { return { resn: x[0], name: x[1] }; }),
- P.MonadicParser.seq(
- orNull(propertiesDict.resn),
- ).map(x => { return { resn: x[0] };}),
- ),
- );
+ bra.then(P.MonadicParser.alt(
+ P.MonadicParser.alt(
+ P.MonadicParser.seq(
+ orNull(propertiesDict.resi).skip(ket),
+ ).map(x => { return { resi: x[0] };})
+ ))),
+ P.MonadicParser.alt(
+ P.MonadicParser.alt(
+ P.MonadicParser.seq(
+ orNull(propertiesDict.resn).skip(colon),
+ orNull(propertiesDict.chain).skip(dot),
+ orNull(propertiesDict.name)
+ ).map(x => { return { resn: x[0], chain: x[1], name: x[2] }; }),
+ P.MonadicParser.seq(
+ orNull(propertiesDict.resn).skip(star),
+ orNull(propertiesDict.chain).skip(dot),
+ orNull(propertiesDict.name)
+ ).map(x => { return { resn: x[0], chain: x[1], name: x[2] }; }),
+ P.MonadicParser.seq(
+ orNull(propertiesDict.resn).skip(colon),
+ orNull(propertiesDict.chain),
+ ).map(x => { return { resn: x[0], chain: x[1] }; }),
+ P.MonadicParser.seq(
+ orNull(propertiesDict.resn).skip(star),
+ orNull(propertiesDict.chain),
+ ).map(x => { return { resn: x[0], chain: x[1] }; }),
+ P.MonadicParser.seq(
+ orNull(propertiesDict.resn).skip(dot),
+ orNull(propertiesDict.name),
+ ).map(x => { return { resn: x[0], name: x[1] }; }),
+ P.MonadicParser.seq(
+ orNull(propertiesDict.resn),
+ ).map(x => { return { resn: x[0] };}),
+ )
+ )
+
+ )
+
},
AtomSelectionMacroResi: function (r: any) {
@@ -330,8 +339,9 @@ const lang = P.MonadicParser.createLanguage({
return P.MonadicParser.seq(
P.MonadicParser.lookahead(r.AtomPrefix),
P.MonadicParser.seq(
- r.ResnoRange.or(P.MonadicParser.of(null)),
+// r.ResnoRange.or(P.MonadicParser.of(null)),
r.Resno.or(P.MonadicParser.of(null)),
+ r.Atomno.or(P.MonadicParser.of(null)),
// r.Resno2.or(P.MonadicParser.of(null)),
r.Inscode.or(P.MonadicParser.of(null)),
r.Chainname.or(P.MonadicParser.of(null)),
@@ -350,6 +360,7 @@ const lang = P.MonadicParser.createLanguage({
Atomname: () => P.MonadicParser.regexp(/\.([a-zA-Z0-9]{1,4})/, 1).map(B.atomName).desc('atomname'),
Resname: () => P.MonadicParser.regexp(/[a-zA-Z0-9]{1,4}/).desc('resname'),
Resno: (r: any) => r.Integer.desc('resno'),
+ Atomno: (r: any) => r.Integer.desc('atomno'),
// Resno2: (r: any) => r.split(',').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'),
diff --git a/src/mol-script/transpilers/rasmol/special_properties.ts b/src/mol-script/transpilers/rasmol/special_properties.ts
index 30feb9c87c91fe95818a212ae6737827733313e6..6a466e202ff45b984a4a2c5f6aaabe70dcd519ed 100644
--- a/src/mol-script/transpilers/rasmol/special_properties.ts
+++ b/src/mol-script/transpilers/rasmol/special_properties.ts
@@ -19,7 +19,26 @@ function rangeMap(x: string) {
return { min, max };
}
function listOrRangeMap(x: string) {
- return x.includes('-') ? rangeMap(x) : listMap(x).map(x => parseInt(x));
+ if (x.includes('-') && x.includes('+')){
+ const pSplit = x.split('+').map(x => x.replace(/^["']|["']$/g, ''));
+ const res : number[] =[];
+ pSplit.forEach( x => {
+ if (x.includes('-')){
+ const [min, max] = x.split('-').map(x=>parseInt(x));
+ for (var i = min; i <= max; i++){
+ res.push(i);
+ }
+ }else{
+ res.push(parseInt(x));
+ }
+ });
+ console.log(res)
+ return res;
+ }else if(x.includes('-') && !x.includes('+')){
+ return rangeMap(x)
+ }else if(!x.includes('-') && x.includes('+')){
+ return listMap(x)
+ }
}
function elementListMap(x: string) {
return x.split('+').map(B.struct.type.elementSymbol);
diff --git a/src/mol-util/monadic-parser.ts b/src/mol-util/monadic-parser.ts
index 70b32de06cdd267f250f2a4c3ee05a81da64c710..cbae221a955dafa2777cad4866aa3e4625a8e076 100644
--- a/src/mol-util/monadic-parser.ts
+++ b/src/mol-util/monadic-parser.ts
@@ -470,7 +470,6 @@ export namespace MonadicParser {
export const letters = regexp(/[a-z]*/i).desc('optional letters');
export const optWhitespace = regexp(/\s*/).desc('optional whitespace');
export const whitespace = regexp(/\s+/).desc('whitespace');
- export const comma = regexp(/,/).desc('comma');
export const cr = string('\r');
export const lf = string('\n');
export const crlf = string('\r\n');