Clazz.declarePackage("JM.FF");
Clazz.load(["JM.FF.Calculation"], "JM.FF.MMFFSBCalc", null, function(){
var c$ = Clazz.declareType(JM.FF, "MMFFSBCalc", JM.FF.Calculation);
Clazz.defineMethod(c$, "setData", 
function(calc, angle){
if (this.calcs.isLinear(angle.data[1])) return;
var data = this.calcs.getParameter(angle.sbKey);
var datakat0 = this.calcs.getParameterObj(angle);
var dataij = this.calcs.getParameter(this.calcs.minBonds[angle.data[3]]);
var datajk = this.calcs.getParameter(this.calcs.minBonds[angle.data[4]]);
if (data == null || datakat0 == null || dataij == null || datajk == null) return;
var theta0 = datakat0[1];
var r0ij = dataij[1];
var r0jk = datajk[1];
calc.addLast( Clazz.newArray(-1, [angle.data,  Clazz.newDoubleArray(-1, [data[0], theta0, r0ij]), angle.sbKey]));
calc.addLast( Clazz.newArray(-1, [ Clazz.newIntArray(-1, [angle.data[2], angle.data[1], angle.data[0]]),  Clazz.newDoubleArray(-1, [data[1], theta0, r0jk]), angle.sbKey]));
}, "JU.Lst,JM.MinAngle");
Clazz.overrideMethod(c$, "compute", 
function(dataIn){
this.key = dataIn[2];
this.getPointers(dataIn);
var k = 2.51210 * this.dData[0];
var t0 = this.dData[1];
var r0_ab = this.dData[2];
this.calcs.setPairVariables(this);
this.calcs.setAngleVariables(this);
var dr_ab = this.rab - r0_ab;
this.delta = this.theta * 57.29577951308232 - t0;
this.energy = k * dr_ab * this.delta;
if (this.calcs.logging) this.calcs.appendLogData(this.calcs.getDebugLine(3, this));
if (this.calcs.gradients) {
this.dE = k * dr_ab;
this.calcs.addForces(this, 3);
this.calcs.setPairVariables(this);
this.dE = k * this.delta;
this.calcs.addForces(this, 2);
}return this.energy;
}, "~A");
});
;//5.0.1-v2 Tue Jul 23 17:25:20 CDT 2024
