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@@ -206,34 +206,34 @@ function initialize(unit: Unit.Atomic, params: AccessibleSurfaceAreaComputationP
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}
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}
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}
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}
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-class Count {
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+
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- static count = 10;
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+
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- get count(): number {
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+
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- return Count.count;
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+
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- }
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+
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- set count(v: number) {
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+
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- Count.count = v;
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+
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- }
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+
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-}
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+
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function computeAccessibleSurfaceArea(unit: Unit.Atomic, params?: Partial<AccessibleSurfaceAreaComputationParameters>): AccessibleSurfaceArea {
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function computeAccessibleSurfaceArea(unit: Unit.Atomic, params?: Partial<AccessibleSurfaceAreaComputationParameters>): AccessibleSurfaceArea {
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- const count = new Count();
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+
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- count.count = count.count - 1;
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+
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- if (count.count > 0) {
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+
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- console.log(`computing accessible surface area for unit #${ unit.id + 1 }`);
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+ console.log(`computing accessible surface area for unit #${ unit.id + 1 }`);
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- return _computeAccessibleSurfaceArea(unit, {
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+ return _computeAccessibleSurfaceArea(unit, {
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- numberOfSpherePoints: (params && params.numberOfSpherePoints) || 92 ,
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+ numberOfSpherePoints: (params && params.numberOfSpherePoints) || 92 ,
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-
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+
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- probeSize: (params && params.probeSize) || 1.4
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+ probeSize: (params && params.probeSize) || 1.4
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- });
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+ });
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- } else {
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+
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- return {
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+
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- atomRadius: [],
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+
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- accessibleSurfaceArea: [],
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+
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- relativeAccessibleSurfaceArea: [],
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+
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- buried: void 0
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+
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- }
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+
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- }
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+
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}
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}
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