diff --git a/src/mol-script/transpilers/pymol/properties.ts b/src/mol-script/transpilers/pymol/properties.ts
index 63f617b4a961e5f03509f80bade337c6492808b1..b0d620a3d31e6ae2f3737ffec1a7ce870559a13f 100644
--- a/src/mol-script/transpilers/pymol/properties.ts
+++ b/src/mol-script/transpilers/pymol/properties.ts
@@ -32,7 +32,7 @@ function listOrRangeMap(x: string) {
res.push(parseInt(x));
}
});
- console.log(res)
+// console.log(res)
return res;
}else if(x.includes('-') && !x.includes('+')){
return rangeMap(x)
diff --git a/src/mol-script/transpilers/rasmol/special_properties.ts b/src/mol-script/transpilers/rasmol/special_properties.ts
index 6a466e202ff45b984a4a2c5f6aaabe70dcd519ed..afe6a9e79337806d80405edd613ea8bea645223e 100644
--- a/src/mol-script/transpilers/rasmol/special_properties.ts
+++ b/src/mol-script/transpilers/rasmol/special_properties.ts
@@ -12,15 +12,15 @@ import { PropertyDict } from '../types';
const reFloat = /[-+]?[0-9]*\.?[0-9]+/;
// const rePosInt = /[0-9]+/;
-function atomNameListMap(x: string) { return x.split('+').map(B.atomName); }
-function listMap(x: string) { return x.split('+').map(x => x.replace(/^["']|["']$/g, '')); }
+function atomNameListMap(x: string) { return x.split(',').map(B.atomName); }
+function listMap(x: string) { return x.split(',').map(x => x.replace(/^["']|["']$/g, '')); }
function rangeMap(x: string) {
const [min, max] = x.split('-').map(x => parseInt(x));
return { min, max };
}
function listOrRangeMap(x: string) {
- if (x.includes('-') && x.includes('+')){
- const pSplit = x.split('+').map(x => x.replace(/^["']|["']$/g, ''));
+ if (x.includes('-') && x.includes(',')){
+ const pSplit = x.split(',').map(x => x.replace(/^["']|["']$/g, ''));
const res : number[] =[];
pSplit.forEach( x => {
if (x.includes('-')){
@@ -32,11 +32,11 @@ function listOrRangeMap(x: string) {
res.push(parseInt(x));
}
});
- console.log(res)
+// console.log(res)
return res;
- }else if(x.includes('-') && !x.includes('+')){
+ }else if(x.includes('-') && !x.includes(',')){
return rangeMap(x)
- }else if(!x.includes('-') && x.includes('+')){
+ }else if(!x.includes('-') && x.includes(',')){
return listMap(x)
}
}
@@ -61,112 +61,38 @@ export const special_properties: PropertyDict = {
symbol: {
'@desc': 'chemical-symbol-list: list of 1- or 2-letter chemical symbols from the periodic table',
'@examples': ['symbol O+N'],
- abbr: ['e.'], regex: /[a-zA-Z'"+]+/, map: elementListMap,
+ abbr: ['e.'], regex: /[a-zA-Z'",]+/, map: elementListMap,
level: 'atom-test', property: B.acp('elementSymbol')
},
name: {
'@desc': 'atom-name-list: list of up to 4-letter codes for atoms in proteins or nucleic acids',
'@examples': ['name CA+CB+CG+CD'],
- abbr: ['n.'], regex: /[a-zA-Z0-9'"+]+/, map: atomNameListMap,
+ abbr: ['n.'], regex: /[a-zA-Z0-9'",]+/, map: atomNameListMap,
level: 'atom-test', property: B.ammp('label_atom_id')
},
resn: {
'@desc': 'residue-name-list: list of 3-letter codes for amino acids or list of up to 2-letter codes for nucleic acids',
'@examples': ['resn ASP+GLU+ASN+GLN', 'resn A+G'],
- abbr: ['resname', 'r.'], regex: /[a-zA-Z0-9'"+]+/, map: listMap,
+ abbr: ['resname', 'r.'], regex: /[a-zA-Z0-9'",]+/, map: listMap,
level: 'residue-test', property: B.ammp('label_comp_id')
},
resi: {
'@desc': 'residue-identifier-list list of up to 4-digit residue numbers or residue-identifier-range',
'@examples': ['resi 1+10+100+1000', 'resi 1-10'],
- abbr: ['resident', 'residue', 'resid', 'i.'], regex: /[0-9+-]+/, map: listOrRangeMap,
+ abbr: ['resident', 'residue', 'resid', 'i.'], regex: /[0-9,-]+/, map: listOrRangeMap,
level: 'residue-test', property: B.ammp('auth_seq_id')
},
alt: {
'@desc': 'alternate-conformation-identifier-list list of single letters',
'@examples': ['alt A+B', 'alt ""', 'alt ""+A'],
- abbr: [], regex: /[a-zA-Z0-9'"+]+/, map: listMap,
+ abbr: [], regex: /[a-zA-Z0-9'",]+/, map: listMap,
level: 'atom-test', property: B.ammp('label_alt_id')
},
chain: {
'@desc': 'chain-identifier-list list of single letters or sometimes numbers',
'@examples': ['chain A'],
- abbr: ['c.'], regex: /[a-zA-Z0-9'"+]+/, map: listMap,
+ abbr: ['c.'], regex: /[a-zA-Z0-9'",]+/, map: listMap,
level: 'chain-test', property: B.ammp('auth_asym_id')
},
- segi: {
- '@desc': 'segment-identifier-list list of up to 4 letter identifiers',
- '@examples': ['segi lig'],
- abbr: ['segid', 's.'], regex: /[a-zA-Z0-9'"+]+/, map: listMap,
- level: 'chain-test', property: B.ammp('label_asym_id')
- },
- flag: {
- '@desc': 'flag-number a single integer from 0 to 31',
- '@examples': ['flag 0'],
- isUnsupported: true,
- abbr: ['f.'], regex: /[0-9]+/, map: x => parseInt(x),
- level: 'atom-test'
- },
- numeric_type: {
- '@desc': 'type-number a single integer',
- '@examples': ['nt. 5'],
- isUnsupported: true,
- abbr: ['nt.'], regex: /[0-9]+/, map: x => parseInt(x),
- level: 'atom-test'
- },
- text_type: {
- '@desc': 'type-string a list of up to 4 letter codes',
- '@examples': ['text_type HA+HC'],
- isUnsupported: true,
- abbr: ['tt.'], regex: /[a-zA-Z0-9'"+]+/, map: listMap,
- level: 'atom-test'
- },
- id: {
- '@desc': 'external-index-number a single integer',
- '@examples': ['id 23'],
- regex: /[0-9+-]+/, map: listOrRangeMap,
- level: 'atom-test', property: B.ammp('id')
- },
- index: {
- '@desc': 'internal-index-number a single integer',
- '@examples': ['index 11'],
- regex: /[0-9+-]+/, map: listOrRangeMap,
- level: 'atom-test', property: B.ammp('id')
- },
- ss: {
- '@desc': 'secondary-structure-type list of single letters. Helical regions should be assigned H and sheet regions S. Loop regions can either be assigned L or be blank.',
- '@examples': ['ss H+S+L', 'ss S+""'],
- abbr: [], regex: /[a-zA-Z'"+]+/, map: sstrucListMap,
- level: 'residue-test', property: B.ammp('secondaryStructureFlags')
- },
- b: {
- '@desc': 'comparison-operator b-factor-value a real number',
- '@examples': ['b > 10'],
- isNumeric: true,
- abbr: [], regex: reFloat, map: x => parseFloat(x),
- level: 'atom-test', property: B.ammp('B_iso_or_equiv')
- },
- q: {
- '@desc': 'comparison-operator occupancy-value a real number',
- '@examples': ['q <0.50'],
- isNumeric: true,
- abbr: [], regex: reFloat, map: x => parseFloat(x),
- level: 'atom-test', property: B.ammp('occupancy')
- },
- formal_charge: {
- '@desc': 'comparison-operator formal charge-value an integer',
- '@examples': ['fc. = -1'],
- isNumeric: true,
- abbr: ['fc.'], regex: reFloat, map: x => parseFloat(x),
- level: 'atom-test', property: B.ammp('pdbx_formal_charge')
- },
- partial_charge: {
- '@desc': 'comparison-operator partial charge-value a real number',
- '@examples': ['pc. > 1'],
- isUnsupported: true,
- isNumeric: true,
- abbr: ['pc.'], regex: reFloat, map: x => parseFloat(x),
- level: 'atom-test'
- }
};