Ignore:
Timestamp:
Nov 12, 2008 4:45:15 PM (14 years ago)
Author:
srkline
Message:

Changes to the analysis package to add a few more model functions. Documentation and XOPs are to follow later.

General n-point gaussian quadrature has been added to GaussUtils? by including a Gauss-Laguere point generator from Numerical Recipes. See the Paracrystal models for an example, since they needed more than the 76 point quadrature.

Location:
sans/Dev/trunk/NCNR_User_Procedures/Analysis/Models/NewModels_2008
Files:
2 edited

Legend:

Unmodified
Added
Removed

  • sans/Dev/trunk/NCNR_User_Procedures/Analysis/Models/NewModels_2008/Core_and_NShells_v40.ipf

    r396 r444  
    2323//needed to calculate the model function. 
    2424// 
    25 Macro PlotOneShell(num,qmin,qmax) 
     25Proc PlotOneShell(num,qmin,qmax) 
    2626        Variable num=200, qmin=0.001, qmax=0.7 
    2727        Prompt num "Enter number of data points for model: " 
    … …  
    4848End 
    4949 
    50 Macro PlotTwoShell(num,qmin,qmax) 
     50Proc PlotTwoShell(num,qmin,qmax) 
    5151        Variable num=200, qmin=0.001, qmax=0.7 
    5252        Prompt num "Enter number of data points for model: " 
    … …  
    7373End 
    7474 
    75 Macro PlotThreeShell(num,qmin,qmax) 
     75Proc PlotThreeShell(num,qmin,qmax) 
    7676        Variable num=200, qmin=0.001, qmax=0.7 
    7777        Prompt num "Enter number of data points for model: " 
    … …  
    8181        Make/O/D/n=(num) xwave_ThreeShell, ywave_ThreeShell 
    8282        xwave_ThreeShell =  alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) 
    83         Make/O/D coef_ThreeShell ={1.,60,6.4e-6,10,1e-6,10,2e-6,6.4e-6,0.001} 
    84         make/o/t parameters_ThreeShell = {"scale","core radius (A)","Core SLD (A-2)","Shell 1 thickness","Shell 1 SLD (A-2)","Shell 2 thickness","Shell 2 SLD (A-2)","Solvent SLD (A-2)","bkg (cm-1)"} 
     83        Make/O/D coef_ThreeShell ={1.,60,6.4e-6,10,1e-6,10,2e-6,10,3e-6,6.4e-6,0.001} 
     84        make/o/t parameters_ThreeShell = {"scale","core radius (A)","Core SLD (A-2)","Shell 1 thickness","Shell 1 SLD (A-2)","Shell 2 thickness","Shell 2 SLD (A-2)","Shell 3 thickness","Shell 3 SLD (A-2)","Solvent SLD (A-2)","bkg (cm-1)"} 
    8585        Edit parameters_ThreeShell, coef_ThreeShell 
    8686         
    … …  
    9898End 
    9999 
    100 Macro PlotFourShell(num,qmin,qmax) 
     100Proc PlotFourShell(num,qmin,qmax) 
    101101        Variable num=200, qmin=0.001, qmax=0.7 
    102102        Prompt num "Enter number of data points for model: " 
    … …  
    134134//////////////////////////////////////////////////// 
    135135// - sets up a dependency to a wrapper, not the actual SmearedModelFunction 
    136 Macro PlotSmearedOneShell(str)                                                           
     136Proc PlotSmearedOneShell(str)                                                            
    137137        String str 
    138138        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) 
    … …  
    168168End 
    169169 
    170 Macro PlotSmearedTwoShell(str)                                                           
     170Proc PlotSmearedTwoShell(str)                                                            
    171171        String str 
    172172        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) 
    … …  
    203203 
    204204 
    205 Macro PlotSmearedThreeShell(str)                                                                 
     205Proc PlotSmearedThreeShell(str)                                                          
    206206        String str 
    207207        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) 
    … …  
    237237End 
    238238 
    239 Macro PlotSmearedFourShell(str)                                                          
     239Proc PlotSmearedFourShell(str)                                                           
    240240        String str 
    241241        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) 
    … …  
    676676        return (0) 
    677677End 
     678 
     679//wrapper to calculate the smeared model as an AAO-Struct 
     680// fills the struct and calls the ususal function with the STRUCT parameter 
     681// 
     682// used only for the dependency, not for fitting 
     683// 
     684Function fSmearedTwoShell(coefW,yW,xW) 
     685        Wave coefW,yW,xW 
     686         
     687        String str = getWavesDataFolder(yW,0) 
     688        String DF="root:"+str+":" 
     689         
     690        WAVE resW = $(DF+str+"_res") 
     691         
     692        STRUCT ResSmearAAOStruct fs 
     693        WAVE fs.coefW = coefW    
     694        WAVE fs.yW = yW 
     695        WAVE fs.xW = xW 
     696        WAVE fs.resW = resW 
     697         
     698        Variable err 
     699        err = SmearedTwoShell(fs) 
     700         
     701        return (0) 
     702End 
     703 
     704//wrapper to calculate the smeared model as an AAO-Struct 
     705// fills the struct and calls the ususal function with the STRUCT parameter 
     706// 
     707// used only for the dependency, not for fitting 
     708// 
     709Function fSmearedThreeShell(coefW,yW,xW) 
     710        Wave coefW,yW,xW 
     711         
     712        String str = getWavesDataFolder(yW,0) 
     713        String DF="root:"+str+":" 
     714         
     715        WAVE resW = $(DF+str+"_res") 
     716         
     717        STRUCT ResSmearAAOStruct fs 
     718        WAVE fs.coefW = coefW    
     719        WAVE fs.yW = yW 
     720        WAVE fs.xW = xW 
     721        WAVE fs.resW = resW 
     722         
     723        Variable err 
     724        err = SmearedThreeShell(fs) 
     725         
     726        return (0) 
     727End 
     728 
     729//wrapper to calculate the smeared model as an AAO-Struct 
     730// fills the struct and calls the ususal function with the STRUCT parameter 
     731// 
     732// used only for the dependency, not for fitting 
     733// 
     734Function fSmearedFourShell(coefW,yW,xW) 
     735        Wave coefW,yW,xW 
     736         
     737        String str = getWavesDataFolder(yW,0) 
     738        String DF="root:"+str+":" 
     739         
     740        WAVE resW = $(DF+str+"_res") 
     741         
     742        STRUCT ResSmearAAOStruct fs 
     743        WAVE fs.coefW = coefW    
     744        WAVE fs.yW = yW 
     745        WAVE fs.xW = xW 
     746        WAVE fs.resW = resW 
     747         
     748        Variable err 
     749        err = SmearedFourShell(fs) 
     750         
     751        return (0) 
     752End 

  • sans/Dev/trunk/NCNR_User_Procedures/Analysis/Models/NewModels_2008/PolyCore_and_NShells_v40.ipf

    r396 r444  
    2727//needed to calculate the model function. 
    2828// 
    29 Macro PlotPolyPolyOneShell(num,qmin,qmax) 
     29Proc PlotPolyOneShell(num,qmin,qmax) 
    3030        Variable num=200, qmin=0.001, qmax=0.7 
    3131        Prompt num "Enter number of data points for model: " 
    … …  
    3333        Prompt qmax "Enter maximum q-value (^-1) for model: " 
    3434// 
    35         Make/O/D/n=(num) xwave_PolyPolyOneShell, ywave_PolyPolyOneShell 
    36         xwave_PolyPolyOneShell =  alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) 
    37         Make/O/D coef_PolyPolyOneShell = {1.,60,0.1,6.4e-6,10,1e-6,6.4e-6,0.001} 
    38         make/o/t parameters_PolyPolyOneShell = {"scale","core radius (A)","Core Polydispersity(0,1)","Core SLD (A-2)","Shell thickness (A)","Shell SLD (A-2)","Solvent SLD (A-2)","bkg (cm-1)"} 
    39         Edit parameters_PolyPolyOneShell, coef_PolyPolyOneShell 
    40          
    41         Variable/G root:g_PolyPolyOneShell 
     35        Make/O/D/n=(num) xwave_PolyOneShell, ywave_PolyOneShell 
     36        xwave_PolyOneShell =  alog(log(qmin) + x*((log(qmax)-log(qmin))/num)) 
     37        Make/O/D coef_PolyOneShell = {1.,60,0.1,6.4e-6,10,1e-6,6.4e-6,0.001} 
     38        make/o/t parameters_PolyOneShell = {"scale","core radius (A)","Core Polydispersity(0,1)","Core SLD (A-2)","Shell thickness (A)","Shell SLD (A-2)","Solvent SLD (A-2)","bkg (cm-1)"} 
     39        Edit parameters_PolyOneShell, coef_PolyOneShell 
     40         
     41        Variable/G root:g_PolyOneShell 
    4242        g_PolyOneShell := PolyOneShell(coef_PolyOneShell, ywave_PolyOneShell, xwave_PolyOneShell) 
    4343        Display ywave_PolyOneShell vs xwave_PolyOneShell 
    … …  
    5252End 
    5353 
    54 Macro PlotPolyPolyTwoShell(num,qmin,qmax) 
     54Proc PlotPolyTwoShell(num,qmin,qmax) 
    5555        Variable num=200, qmin=0.001, qmax=0.7 
    5656        Prompt num "Enter number of data points for model: " 
    … …  
    7777End 
    7878 
    79 Macro PlotPolyThreeShell(num,qmin,qmax) 
     79Proc PlotPolyThreeShell(num,qmin,qmax) 
    8080        Variable num=200, qmin=0.001, qmax=0.7 
    8181        Prompt num "Enter number of data points for model: " 
    … …  
    102102End 
    103103 
    104 Macro PlotPolyFourShell(num,qmin,qmax) 
     104Proc PlotPolyFourShell(num,qmin,qmax) 
    105105        Variable num=200, qmin=0.001, qmax=0.7 
    106106        Prompt num "Enter number of data points for model: " 
    … …  
    138138//////////////////////////////////////////////////// 
    139139// - sets up a dependency to a wrapper, not the actual SmearedModelFunction 
    140 Macro PlotSmearedPolyOneShell(str)                                                               
     140Proc PlotSmearedPolyOneShell(str)                                                                
    141141        String str 
    142142        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) 
    … …  
    172172End 
    173173 
    174 Macro PlotSmearedPolyTwoShell(str)                                                               
     174Proc PlotSmearedPolyTwoShell(str)                                                                
    175175        String str 
    176176        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) 
    … …  
    207207 
    208208 
    209 Macro PlotSmearedPolyThreeShell(str)                                                             
     209Proc PlotSmearedPolyThreeShell(str)                                                              
    210210        String str 
    211211        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) 
    … …  
    241241End 
    242242 
    243 Macro PlotSmearedPolyFourShell(str)                                                              
     243Proc PlotSmearedPolyFourShell(str)                                                               
    244244        String str 
    245245        Prompt str,"Pick the data folder containing the resolution you want",popup,getAList(4) 
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