Fixed:

 - Poly Fitting (using of high orders)
 - Drawing of NP profiles
 - Minor errors
 - Interface fixes
Added:
 - Profile Table viewer
 - Storing auto generated tables in the project file
 - Copy structure as image (png)
 - GIU improvements

LFPSO/unit_LFPSO_Base.pas

@@ -1,3 +1,12 @@
+(* *****************************************************************************
+  *
+  *   X-Ray Calc 3
+  *
+  *   Copyright (C) 2001-2023 Oleksiy Penkov
+  *   e-mail: [email protected]
+  *
+  ****************************************************************************** *)
+
 unit unit_LFPSO_Base;
 
 interface

LFPSO/unit_LFPSO_Periodic.pas

@@ -1,3 +1,12 @@
+(* *****************************************************************************
+  *
+  *   X-Ray Calc 3
+  *
+  *   Copyright (C) 2001-2023 Oleksiy Penkov
+  *   e-mail: [email protected]
+  *
+  ****************************************************************************** *)
+
 unit unit_LFPSO_Periodic;
 
 interface

LFPSO/unit_LFPSO_Poly.pas

@@ -1,3 +1,12 @@
+(* *****************************************************************************
+  *
+  *   X-Ray Calc 3
+  *
+  *   Copyright (C) 2001-2023 Oleksiy Penkov
+  *   e-mail: [email protected]
+  *
+  ****************************************************************************** *)
+
 unit unit_LFPSO_Poly;
 
 interface
@@ -102,7 +111,7 @@ procedure TLFPSO_Poly.UpdatePSO(const t: integer);
 procedure TLFPSO_Poly.CheckLimitsP(const i, j, k, Ord: integer);
 var
    Val, Max, Min: Single;
-   p, r: Integer;
+   p, r, Nmin, Nmax: Integer;
 begin
   for p := 0 to Ord do
   begin
@@ -121,32 +130,52 @@ procedure TLFPSO_Poly.CheckLimitsP(const i, j, k, Ord: integer);
   begin
     for r := 1 to Counts[j] do
     begin
-      Val := Poly(r, X[i][j][k]);
+      Val := Poly(r, Xmin[0][Indexes[j]][k][0], Xmax[0][Indexes[j]][k][0], X[i][j][k]);
       if Val > Max then
-         Max := Val;
+      begin
+        Max := Val;
+        NMax := r;
+      end;
       if Val < Min then
+      begin
          Min := Val;
+         Nmin := r;
+      end;
     end
   end
   else begin
     Max := X[i][j][k][0];
     Min := X[i][j][k][0];
   end;
 
-  if Max > Xmax[0][Indexes[j]][k][0] then
+  if Max >= Xmax[0][Indexes[j]][k][0] then
   begin
-    X[i][j][k][0] := Xmax[0][Indexes[j]][k][0];
-    for p := 1 to Ord do
-      if X[i][j][k][p] > 0 then
-              X[i][j][k][p] := 0;
+    if X[i][j][k][0] > Xmax[0][Indexes[j]][k][0] then
+    begin
+      X[i][j][k][0] := Xmax[0][Indexes[j]][k][0];
+      for p := 1 to Ord do
+        X[i][j][k][p] := 0;
+    end
+    else begin
+      X[i][j][k][1] :=  (Xmax[0][Indexes[j]][k][0]  - X[i][j][k][0]) / Nmax;
+      for p := 2 to Ord do
+        X[i][j][k][p] := 0;
+    end;
   end;
 
-  if Min < Xmin[0][Indexes[j]][k][0] then
+  if Min <= Xmin[0][Indexes[j]][k][0] then
   begin
-    X[i][j][k][0] := Xmin[0][Indexes[j]][k][0];
-    for p := 1 to Ord do
-      if X[i][j][k][p] < 0 then
-              X[i][j][k][p] := 0;
+    if X[i][j][k][0] < Xmin[0][Indexes[j]][k][0] then
+    begin
+      X[i][j][k][0] := Xmin[0][Indexes[j]][k][0];
+      for p := 1 to Ord do
+        X[i][j][k][p] := 0;
+    end
+    else begin
+      X[i][j][k][1] :=  (Xmin[0][Indexes[j]][k][0]  - X[i][j][k][0]) / Nmin;
+      for p := 2 to Ord do
+        X[i][j][k][p] := 0;
+    end;
   end;
 end;
 
@@ -196,15 +225,16 @@ procedure TLFPSO_Poly.XSeed;
 
 procedure TLFPSO_Poly.RangeSeed;
 var
-  i, j, k, p: integer;
+  i, j, k, p, Ord: integer;
   Val: Single;
 begin
   for i := 0 to High(X) do          // for every member of the population
   begin
     for j := 0 to High(X[i]) do     //for every layer
       for k := 1 to 3 do            // for H, s, rho
       begin
-        for p := 0 to Order(j, k) do  // for every oefficient of polynome
+        Ord := Order(j, k);
+        for p := 0 to Ord do  // for every oefficient of polynome
         begin
           if p = 0 then
           begin
@@ -214,7 +244,7 @@ procedure TLFPSO_Poly.RangeSeed;
           else
             X[i][j][k][p] := Rand(1)/TP(p);
         end;
-        CheckLimits(i, j, k);
+        CheckLimitsP(i, j, k, Ord);
       end;
   end;
 end;

LFPSO/unit_LFPSO_Regular.pas

@@ -1,3 +1,12 @@
+(* *****************************************************************************
+  *
+  *   X-Ray Calc 3
+  *
+  *   Copyright (C) 2001-2023 Oleksiy Penkov
+  *   e-mail: [email protected]
+  *
+  ****************************************************************************** *)
+
 unit unit_LFPSO_Regular;
 
 interface
@@ -171,8 +180,7 @@ procedure TLFPSO_Regular.SetStructure(const Inp: TFitStructure);
     for k := 1 to Inp.Stacks[i].N do
     begin
       if (k = 1) and not FReInit then
-
-      InitArray(NLayers, Links);
+         InitArray(NLayers, Links);
 
       for j := 0 to NLayers - 1 do
       begin
@@ -193,7 +201,7 @@ procedure TLFPSO_Regular.SetStructure(const Inp: TFitStructure);
 
             for p := 1 to 3 do
                if Inp.Stacks[i].Layers[j].P[p].Paired then
-                  Links[j][1] := Index;
+                  Links[j][p] := Index;
           end
           else
             for l := 1 to 3 do

README.md

@@ -6,6 +6,19 @@ In this version, the automatic optimization based on modified LFPSO algorithm wa
 
 The X-Ray Calc distribution contents several demonstration projects located in the Examples folder To see the demos, click the Open button, navigate to the Examples folder, and select a project file.
 
+
+2023-08-08 3.0.6
+Fixed:
+ - Poly Fitting (using of high orders)
+ - Drawing of NP profiles
+ - Minor errors
+ - Interface fixes
+Added:
+ - Profile Table viewer
+ - Storing auto generated tables in the project file
+ - Copy structure as image (png) 
+ - GIU improvements
+
 2023-07-31 3.0.5
 Fixed:
  - Poly Fitting

XRC3.groupproj

@@ -6,6 +6,9 @@
         <Projects Include="XRayCalc3.dproj">
             <Dependencies/>
         </Projects>
+        <Projects Include="components\XRayCalcVisualControls.dproj">
+            <Dependencies/>
+        </Projects>
     </ItemGroup>
     <ProjectExtensions>
         <Borland.Personality>Default.Personality.12</Borland.Personality>
@@ -23,14 +26,23 @@
     <Target Name="XRayCalc3:Make">
         <MSBuild Projects="XRayCalc3.dproj" Targets="Make"/>
     </Target>
+    <Target Name="XRayCalcVisualControls">
+        <MSBuild Projects="components\XRayCalcVisualControls.dproj"/>
+    </Target>
+    <Target Name="XRayCalcVisualControls:Clean">
+        <MSBuild Projects="components\XRayCalcVisualControls.dproj" Targets="Clean"/>
+    </Target>
+    <Target Name="XRayCalcVisualControls:Make">
+        <MSBuild Projects="components\XRayCalcVisualControls.dproj" Targets="Make"/>
+    </Target>
     <Target Name="Build">
-        <CallTarget Targets="XRayCalc3"/>
+        <CallTarget Targets="XRayCalc3;XRayCalcVisualControls"/>
     </Target>
     <Target Name="Clean">
-        <CallTarget Targets="XRayCalc3:Clean"/>
+        <CallTarget Targets="XRayCalc3:Clean;XRayCalcVisualControls:Clean"/>
     </Target>
     <Target Name="Make">
-        <CallTarget Targets="XRayCalc3:Make"/>
+        <CallTarget Targets="XRayCalc3:Make;XRayCalcVisualControls:Make"/>
     </Target>
     <Import Project="$(BDS)\Bin\CodeGear.Group.Targets" Condition="Exists('$(BDS)\Bin\CodeGear.Group.Targets')"/>
 </Project>

XRayCalc3.dpr

@@ -37,7 +37,9 @@ uses
   frm_Benchmark in 'forms\frm_Benchmark.pas' {frmBenchmark},
   unit_files_list in 'components\unit_files_list.pas',
   unit_Config in 'units\unit_Config.pas',
-  frm_settings in 'forms\frm_settings.pas' {frmSettings};
+  frm_settings in 'forms\frm_settings.pas' {frmSettings},
+  editor_ProfileTable in 'editors\editor_ProfileTable.pas' {edtrProfileTable},
+  unit_XRCGrid in 'components\unit_XRCGrid.pas';
 
 {$R *.res}
 
@@ -59,5 +61,6 @@ begin
   Application.CreateForm(TfrmBenchmark, frmBenchmark);
   Application.CreateForm(TfrmSettings, frmSettings);
   Application.CreateForm(TfrmSettings, frmSettings);
+  Application.CreateForm(TedtrProfileTable, edtrProfileTable);
   Application.Run;
 end.

XRayCalc3.dproj

@@ -114,7 +114,7 @@
         <VerInfo_AutoGenVersion>true</VerInfo_AutoGenVersion>
         <VerInfo_Keys>CompanyName=;FileDescription=$(MSBuildProjectName);FileVersion=3.0.0.200;InternalName=;LegalCopyright=;LegalTrademarks=;OriginalFilename=;ProgramID=com.embarcadero.$(MSBuildProjectName);ProductName=$(MSBuildProjectName);ProductVersion=3.0.0.0;Comments=</VerInfo_Keys>
         <Icon_MainIcon>Resources\XRayCalc3_Icon.ico</Icon_MainIcon>
-        <Debugger_RunParams>-f &quot;d:\DelphiProjects\X-Ray Calc\X-Ray Calc 3\test_data\Multilayer(4x20).xrcx&quot; -a</Debugger_RunParams>
+        <Debugger_RunParams>-f &quot;d:\DelphiProjects\X-Ray Calc\X-Ray Calc 3\test_data\Mo-B(230314B)_Poly.xrcx&quot; -a</Debugger_RunParams>
     </PropertyGroup>
     <PropertyGroup Condition="'$(Cfg_1_Win64)'!=''">
         <AppDPIAwarenessMode>PerMonitorV2</AppDPIAwarenessMode>
@@ -134,9 +134,9 @@
         <DCC_ImportedDataReferences>false</DCC_ImportedDataReferences>
         <Icon_MainIcon>Resources\XRayCalc3_Icon.ico</Icon_MainIcon>
         <VerInfo_MajorVer>3</VerInfo_MajorVer>
-        <VerInfo_Build>350</VerInfo_Build>
-        <VerInfo_Keys>CompanyName=Zhejiang University;FileDescription=$(MSBuildProjectName);FileVersion=3.0.5.350;InternalName=;LegalCopyright=Oleksiy Penkov;LegalTrademarks=;OriginalFilename=;ProgramID=com.embarcadero.$(MSBuildProjectName);ProductName=$(MSBuildProjectName);ProductVersion=3.0.4;Comments=</VerInfo_Keys>
-        <VerInfo_Release>5</VerInfo_Release>
+        <VerInfo_Build>360</VerInfo_Build>
+        <VerInfo_Keys>CompanyName=Zhejiang University;FileDescription=$(MSBuildProjectName);FileVersion=3.0.6.360;InternalName=;LegalCopyright=Oleksiy Penkov;LegalTrademarks=;OriginalFilename=;ProgramID=com.embarcadero.$(MSBuildProjectName);ProductName=$(MSBuildProjectName);ProductVersion=3.0.4;Comments=</VerInfo_Keys>
+        <VerInfo_Release>6</VerInfo_Release>
     </PropertyGroup>
     <PropertyGroup Condition="'$(Cfg_2_Win64)'!=''">
         <AppDPIAwarenessMode>PerMonitorV2</AppDPIAwarenessMode>
@@ -217,6 +217,11 @@
             <Form>frmSettings</Form>
             <FormType>dfm</FormType>
         </DCCReference>
+        <DCCReference Include="editors\editor_ProfileTable.pas">
+            <Form>edtrProfileTable</Form>
+            <FormType>dfm</FormType>
+        </DCCReference>
+        <DCCReference Include="components\unit_XRCGrid.pas"/>
         <BuildConfiguration Include="Base">
             <Key>Base</Key>
         </BuildConfiguration>