Package com.mockturtlesolutions.snifflib.datatypes

Examples of com.mockturtlesolutions.snifflib.datatypes.DblMatrix


 
  The standard range of pH values is an array of 25 values from 2 to 12.
  */
  public HashMap buffCapEval()
  {
    DblMatrix pH = DblMatrix.span(2,12,25);
    return(this.buffcapMethod.buffCapEval(pH));
   
  }
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    return(this.buffcapMethod.buffCapEval(pH,partial,adj));
  }
 
  public HashMap ionicStr()
  {
    DblMatrix pH = DblMatrix.span(2,12,25);
    return(this.ionicStrMethod.ionicStr(pH));
   
  }
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  }
 
 
  public HashMap dCbdH()
  {
    DblMatrix pH = DblMatrix.span(2,12,25);
    return(this.dCbdHMethod.dCbdH(pH));
   
  }
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    return(this.dCbdHMethod.dCbdH(pH,partial,adj));
  }
 
  public HashMap dCbdt()
  {
    DblMatrix pH = DblMatrix.span(2,12,25);
    return(this.dCbdtMethod.dCbdt(pH));
  }
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    return(this.dCbdtMethod.dCbdt(pH,partial,adj));
  }
 
  public HashMap species()
  {
    DblMatrix pH = DblMatrix.span(2,12,25);
    return(this.speciesMethod.species(pH));
   
  }
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  public DblMatrix initpH()
  {
    DblParamSet Param = new DblParamSet();
    DblMatrix initval = new DblMatrix(4.5);
    DblMatrix lrbnd = new DblMatrix(2.0);
    DblMatrix upbnd = new DblMatrix(12.0);
   
                Param.Dblput("pH",initval);

                NMSimplex Simplex = new NMSimplex(new CbObjective(this),Param);
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  }
 
  public DblMatrix initpH(DblMatrix iv)
  {
    DblParamSet Param = new DblParamSet();
    DblMatrix initval = iv;
    DblMatrix lrbnd = new DblMatrix(2.0);
    DblMatrix upbnd = new DblMatrix(12.0);
                Param.Dblput("pH",initval);

                NMSimplex Simplex = new NMSimplex(new CbObjective(this),Param);
    
   
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  }
 
  public DblMatrix initpH(DblMatrix iv,DblMatrix lr,DblMatrix up)
  {
    DblParamSet Param = new DblParamSet();
    DblMatrix initval = iv;
    DblMatrix lrbnd = lr;
    DblMatrix upbnd = up;
                Param.Dblput("pH",initval);

                NMSimplex Simplex = new NMSimplex(new CbObjective(this),Param);

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    //Set keys = this.concentrationMap.keySet();
    //Iterator iter = keys.iterator();
   
    String[] Names = this.summaryBuffer.getComponents();
    String buffer;
    DblMatrix conc;
   
    System.out.println();
    System.out.println(label+" =");
    //while (iter.hasNext())
    for (int i=0;i<Names.length;i++)
    {
      //buffer = (String)iter.next();
      buffer = Names[i];
      //conc = (DblMatrix)this.concentrationMap.get(buffer);
      conc = this.summaryBuffer.getEstimatedConcentration(buffer);
     
      System.out.println("    "+buffer+":"+conc.getDoubleAt(0));
     
    }
    System.out.println();
  }
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    System.out.println();
  }
 
  public DblMatrix getPredictionAt(DblMatrix[] X)
  {
    DblMatrix out = null;
    switch (this.bufferValueToGet)
    {
      case (BufferSolution.PREDICT_CB):
      {
       
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