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Commit f362a708 authored by yakomaxa's avatar yakomaxa
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rasmol update

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src/mol-script/transpilers/pymol/properties.ts
+ 4
− 3
View file @ f362a708
......@@ -32,12 +32,13 @@ function listOrRangeMap(x: string) {
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)
return listMap(x).map(x => parseInt(x))
}else{
return listMap(x).map(x => parseInt(x))
}
}
......
src/mol-script/transpilers/rasmol/parser.ts
+ 22
− 86
View file @ f362a708
......@@ -11,7 +11,7 @@ import * as P from '../../../mol-util/monadic-parser';
import * as h from '../helper';
import { MolScriptBuilder } from '../../../mol-script/language/builder';
const B = MolScriptBuilder;
import { properties, structureMap, structureDict } from './properties';
import { properties } from './properties';
import { special_properties } from './special_properties';
import { special_keywords } from './special_keywords';
import { special_operators } from './special_operators';
......@@ -19,7 +19,7 @@ import { operators } from './operators';
import { keywords } from './keywords';
import { AtomGroupArgs } from '../types';
import { Transpiler } from '../transpiler';
import { OperatorList } from '../types';
//import { OperatorList } from '../types';
// const propertiesDict = h.getPropertyRules(properties);
......@@ -27,10 +27,10 @@ import { OperatorList } from '../types';
const propertiesDict = h.getPropertyRules(special_properties);
const slash = P.MonadicParser.string('/');
//const slash = P.MonadicParser.string('/');
const dot = P.MonadicParser.string('.');
const colon = P.MonadicParser.string(':');
const comma = P.MonadicParser.string(',');
//const comma = P.MonadicParser.string(',');
const star = P.MonadicParser.string('*');
const bra = P.MonadicParser.string('(');
const ket = P.MonadicParser.string(')');
......@@ -65,18 +65,18 @@ function atomSelectionQuery2(x: any) {
const lang = P.MonadicParser.createLanguage({
Integer: () => P.MonadicParser.regexp(/-?[0-9]+/).map(Number).desc('integer'),
Parens: function (r: any) {
return P.MonadicParser.alt(
r.Parens,
r.Operator,
r.Expression
).wrap(P.MonadicParser.string('('), P.MonadicParser.string(')'));
).wrap(P.MonadicParser.string('['), P.MonadicParser.string(']'));
},
Expression: function (r: any) {
return P.MonadicParser.alt(
// order matters
r.Keywords,
r.NamedAtomProperties,
r.AtomSelectionMacro.map(atomSelectionQuery2),
......@@ -95,7 +95,7 @@ const lang = P.MonadicParser.createLanguage({
// :.cg -> name ca
AtomSelectionMacro: function (r: any) {
return P.MonadicParser.alt(
// :A.CA :.CA
// :A.CA :.CA :A
colon.then(P.MonadicParser.alt(
P.MonadicParser.seq(
orNull(propertiesDict.chain).skip(dot),
......@@ -104,6 +104,9 @@ const lang = P.MonadicParser.createLanguage({
P.MonadicParser.seq(
orNull(propertiesDict.name).skip(dot)
).map(x => { return {name: x[0] }; }),
P.MonadicParser.seq(
orNull(propertiesDict.chain)
).map(x => { return {chain: x[0] }; }),
)),
// *A.CA *.CA
star.then(P.MonadicParser.alt(
......@@ -114,14 +117,20 @@ const lang = P.MonadicParser.createLanguage({
P.MonadicParser.seq(
orNull(propertiesDict.name).skip(dot)
).map(x => { return {name: x[0] }; }),
P.MonadicParser.seq(
orNull(propertiesDict.chain)
).map(x => { return {chain: x[0] }; }),
)),
// 1-100+201
// 1-100,201
bra.then(P.MonadicParser.alt(
P.MonadicParser.alt(
P.MonadicParser.seq(
orNull(propertiesDict.resi).skip(ket),
).map(x => { return { resi: x[0] };})
))),
propertiesDict.resi.skip(ket),
).map(x => {
return { resi: x[0] }
;})
)
)),
// lys:a.ca lys:a lys lys.ca
P.MonadicParser.alt(
P.MonadicParser.alt(
......@@ -174,61 +183,10 @@ const lang = P.MonadicParser.createLanguage({
.map((x: any) => { throw new Error(`property 'object' not supported, value '${x}'`); });
},
NamedAtomProperties: function () {
return P.MonadicParser.alt(...h.getNamedPropertyRules(properties));
},
ValueRange: function (r: any) {
return P.MonadicParser.seq(
r.Value
.skip(P.MonadicParser.regexp(/-/i)),
r.Value
).map(x => ({ range: x }));
},
RangeListProperty: function (r: any) {
return P.MonadicParser.seq(
P.MonadicParser.alt(...h.getPropertyNameRules(special_properties, /\s/))
.skip(P.MonadicParser.whitespace),
P.MonadicParser.alt(
r.ValueRange,
r.Value
).sepBy1(comma)
).map(x => {
const [property, values] = x;
const listValues: (string | number)[] = [];
const rangeValues: any[] = [];
values.forEach((v: any) => {
if (v.range) {
rangeValues.push(
B.core.rel.inRange([property, v.range[0], v.range[1]])
);
} else {
listValues.push(h.wrapValue(property, v, structureDict));
}
});
const rangeTest = h.orExpr(rangeValues);
const listTest = h.valuesTest(property, listValues);
let test;
if (rangeTest && listTest) {
test = B.core.logic.or([rangeTest, listTest]);
} else {
test = rangeTest ? rangeTest : listTest;
}
return B.struct.generator.atomGroups({ [h.testLevel(property)]: test });
});
},
// Operator: function (r: any) {
// return h.combineOperators(operators, P.MonadicParser.alt(r.Parens, r.Expression));
// },
Operator: function (r: any) {
return h.combineOperators(operators, P.MonadicParser.alt(r.Parens, r.Expression, r.Operator));
},
......@@ -236,35 +194,13 @@ const lang = P.MonadicParser.createLanguage({
Keywords: () => P.MonadicParser.alt(...h.getKeywordRules(keywords)),
Query: function (r: any) {
return P.MonadicParser.alt(
r.Operator,
r.Parens,
r.Expression
).trim(P.MonadicParser.optWhitespace);
},
Number: function () {
return P.MonadicParser.regexp(/-?(0|[1-9][0-9]*)([.][0-9]+)?([eE][+-]?[0-9]+)?/)
.map(Number)
.desc('number');
},
String: function () {
const w = h.getReservedWords(properties, keywords, operators)
.sort(h.strLenSortFn).map(h.escapeRegExp).join('|');
return P.MonadicParser.alt(
P.MonadicParser.regexp(new RegExp(`(?!(${w}))[A-Z0-9_]+`, 'i')),
P.MonadicParser.regexp(/'((?:[^"\\]|\\.)*)'/, 1),
P.MonadicParser.regexp(/"((?:[^"\\]|\\.)*)"/, 1).map(x => B.core.type.regex([`^${x}$`, 'i']))
);
},
Value: function (r: any) {
return P.MonadicParser.alt(r.Number, r.String);
},
}
});
......
src/mol-script/transpilers/rasmol/special_properties.ts
+ 5
− 3
View file @ f362a708
......@@ -21,6 +21,7 @@ function rangeMap(x: string) {
function listOrRangeMap(x: string) {
if (x.includes('-') && x.includes(',')){
const pSplit = x.split(',').map(x => x.replace(/^["']|["']$/g, ''));
console.log(pSplit)
const res : number[] =[];
pSplit.forEach( x => {
if (x.includes('-')){
......@@ -32,16 +33,17 @@ function listOrRangeMap(x: string) {
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)
return listMap(x).map(x => parseInt(x));
}else{
return parseInt(x);
}
}
function elementListMap(x: string) {
return x.split('+').map(B.struct.type.elementSymbol);
return x.split(',').map(B.struct.type.elementSymbol);
}
//const sstrucDict: { [k: string]: string } = {
......
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