MeterMBAR

java.lang.Object
- etomica.modules.multiharmonic.mbar.MeterMBAR

All Implemented Interfaces:: IDataSource, IntegratorListener

public class MeterMBAR
extends java.lang.Object
implements IDataSource, IntegratorListener

Field Summary

Fields
Modifier and Type	Field	Description
`protected double[][]`	`alpha`
`protected double[]`	`alphaCenter`
`protected double[]`	`alphaSpan`
`protected long`	`callCount`
`protected DataDoubleArray`	`data`
`protected DataDoubleArray.DataInfoDoubleArray`	`dataInfo`
`protected double[]`	`ei`
`protected int`	`index`
`protected DataSourceScalar[]`	`meterPE`
`protected int`	`nAlpha`
`protected double[]`	`sumCheck`
`protected DataTag`	`tag`
`protected double`	`temperature`

Constructor Summary

Constructors
Constructor Description

MeterMBAR(DataSourceScalar[] meterPE, double temperature)

Constructors
Constructor	Description
`MeterMBAR(DataSourceScalar[] meterPE, double temperature)`

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`double[]`	`getAlpha(int iAlpha)`
`double[]`	`getAlphaCenter()`
`double[]`	`getAlphaSpan()`
`int`	`getBoxIndex()`
`long`	`getCallCount()`
`IData`	`getData()`
`IDataInfo`	`getDataInfo()`
`int`	`getNumAlpha()`
`DataTag`	`getTag()`
`void`	`integratorInitialized(IntegratorEvent e)`	Invoked when integration begins.
`void`	`integratorStepFinished(IntegratorEvent e)`	Invoked at the end of each integrator step.
`void`	`integratorStepStarted(IntegratorEvent e)`	Invoked at the beginning of each integrator step.
`void`	`reset()`
`void`	`setAlpha(double[] aCenter, double[] aSpan)`	sets the range of parameter values used for Bennets method.
`void`	`setBoxIndex(int newIndex)`
`void`	`setNumAlpha(int newNumAlpha)`

Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

- Field Detail
  - alphaSpan
```
protected double[] alphaSpan
```
  - alphaCenter
```
protected double[] alphaCenter
```
  - nAlpha
```
protected int nAlpha
```
  - alpha
```
protected double[][] alpha
```
  - tag
```
protected final DataTag tag
```
  - data
```
protected DataDoubleArray data
```
  - sumCheck
```
protected double[] sumCheck
```
  - dataInfo
```
protected DataDoubleArray.DataInfoDoubleArray dataInfo
```
  - meterPE
```
protected final DataSourceScalar[] meterPE
```
  - temperature
```
protected double temperature
```
  - ei
```
protected final double[] ei
```
  - index
```
protected int index
```
  - callCount
```
protected long callCount
```
- Constructor Detail
  - MeterMBAR
```
public MeterMBAR(DataSourceScalar[] meterPE,
                 double temperature)
```
- Method Detail
  - getNumAlpha
```
public int getNumAlpha()
```
  - getAlphaCenter
```
public double[] getAlphaCenter()
```
  - getAlphaSpan
```
public double[] getAlphaSpan()
```
  - getAlpha
```
public double[] getAlpha(int iAlpha)
```
  - getCallCount
```
public long getCallCount()
```
  - reset
```
public void reset()
```
  - setNumAlpha
```
public void setNumAlpha(int newNumAlpha)
```
  - setAlpha
```
public void setAlpha(double[] aCenter,
                     double[] aSpan)
```
    sets the range of parameter values used for Bennets method. Default is a span of 5 centered about 1 (exp(-5) to (exp(5)).
    
    Parameters:
    
    aCenter - geometric mean of all values
    
    aSpan - natural log of ratio of max value to aCenter
  - getData
```
public IData getData()
```
    Specified by:
    
    getData in interface IDataSource
    
    Returns:
    
    the data given by this source
  - getTag
```
public DataTag getTag()
```
    Specified by:
    
    getTag in interface IDataSource
    
    Returns:
    
    a tag that uniquely identifies the IDataInfo
  - getDataInfo
```
public IDataInfo getDataInfo()
```
    Specified by:
    
    getDataInfo in interface IDataSource
  - setBoxIndex
```
public void setBoxIndex(int newIndex)
```
  - getBoxIndex
```
public int getBoxIndex()
```
  - integratorStepFinished
```
public void integratorStepFinished(IntegratorEvent e)
```
    Description copied from interface: IntegratorListener
    
    Invoked at the end of each integrator step.
    
    Specified by:
    
    integratorStepFinished in interface IntegratorListener
  - integratorInitialized
```
public void integratorInitialized(IntegratorEvent e)
```
    Description copied from interface: IntegratorListener
    
    Invoked when integration begins.
    
    Specified by:
    
    integratorInitialized in interface IntegratorListener
  - integratorStepStarted
```
public void integratorStepStarted(IntegratorEvent e)
```
    Description copied from interface: IntegratorListener
    
    Invoked at the beginning of each integrator step.
    
    Specified by:
    
    integratorStepStarted in interface IntegratorListener

Class MeterMBAR

Field Summary

Constructor Summary

Method Summary

Methods inherited from class java.lang.Object

Field Detail

alphaSpan

alphaCenter

nAlpha

alpha

tag

data

sumCheck

dataInfo

meterPE

temperature

ei

index

callCount

Constructor Detail

MeterMBAR

Method Detail

getNumAlpha

getAlphaCenter

getAlphaSpan

getAlpha

getCallCount

reset

setNumAlpha

setAlpha

getData

getTag

getDataInfo

setBoxIndex

getBoxIndex

integratorStepFinished

integratorInitialized

integratorStepStarted