private void UpdateReactionInfo(BiasingParameters.RareEventInfo tempRareEventInfo, int index)
{
var tempReaction = _reactions.Reactions[index];
var localeIndex = LocaleIndex(tempReaction);
var reactionIndex = ReactionIndex(tempReaction, localeIndex);
_biasingParameters.Locales[localeIndex].Reactions[reactionIndex].RareEvents.Add(tempRareEventInfo);
}
public void BiasingParametersRareEventInfoConstructor()
{
var rareEventInfo = new BiasingParameters.RareEventInfo();
Assert.AreEqual(0, rareEventInfo.BinCount);
Assert.IsEmpty(rareEventInfo.Gammas);
Assert.IsEmpty(rareEventInfo.Thresholds);
}
public void BiasingParametersRareEventInfoBinCountZero()
{
const int binCount = 0;
var rareEventInfo = new BiasingParameters.RareEventInfo {
BinCount = binCount
};
Assert.AreEqual(binCount, rareEventInfo.BinCount);
Assert.AreEqual(binCount, rareEventInfo.Gammas.Length);
Assert.AreEqual(binCount - 1, rareEventInfo.Thresholds.Length);
}
private void UpdateBiasingParameters(StateDependentGammaInfo gammaInfo, double intermediateRareEvent)
{
_biasingParameters.RareEvent.Thresholds.Add(intermediateRareEvent);
for (int i = 0; i < _reactions.Reactions.Count; i++)
{
var tempRareEventInfo = new BiasingParameters.RareEventInfo {
BinCount = gammaInfo.IntermediateGamma[i].Count()
};
gammaInfo.IntermediateGamma[i].CopyTo(tempRareEventInfo.Gammas, 0);
gammaInfo.IntermediatePropensityCutoff[i].CopyTo(tempRareEventInfo.Thresholds, 0);
UpdateReactionInfo(tempRareEventInfo, i);
}
}
public void BiasingParametersReactionInfoRareEventInfo()
{
var reactionInfo = new BiasingParameters.ReactionInfo();
const int binCount = 42;
const float e = (float)Math.E;
const float pi = (float)Math.PI;
var rareEventInfo = new BiasingParameters.RareEventInfo {
BinCount = binCount
};
rareEventInfo.Gammas[0] = e;
rareEventInfo.Thresholds[1] = pi;
reactionInfo.RareEvents.Add(rareEventInfo);
Assert.IsNotEmpty(reactionInfo.RareEvents);
Assert.AreEqual(rareEventInfo, reactionInfo.RareEvents[0]);
}
public void BiasingParametersLocaleInfoReactions()
{
var localeInfo = new BiasingParameters.LocaleInfo {
Name = "bar"
};
var rareEventInfo = new BiasingParameters.RareEventInfo {
BinCount = 42
};
rareEventInfo.Gammas[0] = Math.E;
rareEventInfo.Thresholds[1] = Math.PI;
var reactionInfo = new BiasingParameters.ReactionInfo {
Name = "foo"
};
reactionInfo.RareEvents.Add(rareEventInfo);
localeInfo.Reactions.Add(reactionInfo);
Assert.AreEqual(1, localeInfo.ReactionCount);
Assert.IsNotEmpty(localeInfo.Reactions);
Assert.AreEqual(reactionInfo, localeInfo.Reactions[0]);
}
