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Commit 0c3d4b4c authored by Sebastian Bittrich's avatar Sebastian Bittrich
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removes safety net to avoid dying for 3j3q

parent cf993ab0
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...@@ -206,34 +206,34 @@ function initialize(unit: Unit.Atomic, params: AccessibleSurfaceAreaComputationP ...@@ -206,34 +206,34 @@ function initialize(unit: Unit.Atomic, params: AccessibleSurfaceAreaComputationP
} }
} }
class Count { // class Count {
static count = 10; // static count = 10;
get count(): number { // get count(): number {
return Count.count; // return Count.count;
} // }
set count(v: number) { // set count(v: number) {
Count.count = v; // Count.count = v;
} // }
} // }
function computeAccessibleSurfaceArea(unit: Unit.Atomic, params?: Partial<AccessibleSurfaceAreaComputationParameters>): AccessibleSurfaceArea { function computeAccessibleSurfaceArea(unit: Unit.Atomic, params?: Partial<AccessibleSurfaceAreaComputationParameters>): AccessibleSurfaceArea {
const count = new Count(); // const count = new Count();
count.count = count.count - 1; // count.count = count.count - 1;
if (count.count > 0) { // if (count.count > 0) {
console.log(`computing accessible surface area for unit #${ unit.id + 1 }`); console.log(`computing accessible surface area for unit #${ unit.id + 1 }`);
return _computeAccessibleSurfaceArea(unit, { return _computeAccessibleSurfaceArea(unit, {
numberOfSpherePoints: (params && params.numberOfSpherePoints) || 92 /* original value Shrake, A. & Rupley, J. A. (1973) J. Mol. Biol. 79: 92, BioJava: 960, EPPIC: 3000 */ , numberOfSpherePoints: (params && params.numberOfSpherePoints) || 92 /* original value Shrake, A. & Rupley, J. A. (1973) J. Mol. Biol. 79: 92, BioJava: 960, EPPIC: 3000 */ ,
/** 92: 1600ms, 960: 5000ms, 3000: 13000ms */ /** 92: 1600ms, 960: 5000ms, 3000: 13000ms */
probeSize: (params && params.probeSize) || 1.4 probeSize: (params && params.probeSize) || 1.4
}); });
} else { // } else {
return { // return {
atomRadius: [], // atomRadius: [],
accessibleSurfaceArea: [], // accessibleSurfaceArea: [],
relativeAccessibleSurfaceArea: [], // relativeAccessibleSurfaceArea: [],
buried: void 0 // buried: void 0
} // }
} // }
} }
/** Creates a collection of points on a sphere by the Golden Section Spiral algorithm. */ /** Creates a collection of points on a sphere by the Golden Section Spiral algorithm. */
......
...@@ -61,7 +61,7 @@ function getCartoonRepr() { ...@@ -61,7 +61,7 @@ function getCartoonRepr() {
} }
async function init() { async function init() {
const cif = await downloadFromPdb('3j3q') const cif = await downloadFromPdb(/*'3j3q'*/'3j3q')
const models = await getModels(cif) const models = await getModels(cif)
const structure = await getStructure(models[0]) const structure = await getStructure(models[0])
......
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