i'm developing a chemistry program i find this code in the program chemsketch
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' ACD CHEMBASIC DEMO PROGRAM '
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' '
' Molecular 3D Editor//MIRROR.BAS '
' '
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' '
' The utility flips the molecule at a plane '
' '
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CONST TITLE="ChemBasic Molecular Editor // Mirror"
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Function Main As String
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' MIRROR.BAS '
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Dim page,diag,asm,struc As Object, s As String, OK As Boolean
MAIN="Failed or nothing to do!"
' Get 1st structure from the curent page
page=ActiveDocument.ActivePage
If page.Diagrams.Count<1 Then Exit Function
diag=page.Diagrams.Item(1)
asm=Assemblies.AddFromCS(diag)
If asm=NULL Then Exit Function
struc=Asm.Structures.Item(1)
If struc=NULL Then Exit Function
' Do the job
s=UserIOBox("Flip X, Y, or Z coordinate ?" ,TITLE , "Y")
s=UCase(Left(s,1))
If s="X" OR s="Y" OR s="Z" Then
' Flip !
Call Flip(struc,s)
' Show the results
RefreshDiagram(diag,struc)
Main="Completed."
End If
End Function
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Sub Flip(struc As Object,s As String)
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Dim x,y,z As Double, asm,at As Object
With struc
asm=.Assembly
For Each at In asm
.GetAtomXYZ(at,x,y,z)
Select Case s
Case "X"
x=-x
Case "Y"
y=-y
Case "Z"
z=-z
End Select
.SetAtomXYZ(at,x,y,z)
Next at
End With
End Sub
'***LIBRARY PROCEDURES BEGIN
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Sub RefreshDiagram(diag As Object,strmol As Object)
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' LIB0.BAS PROCEDURE '
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' Redraws the diagram with a molecule or structure object '
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' ENTER '
' diag object of type CS_DIAGRAM '
' strmol object of type CB_MOLECULE or CB_STRUCTURE '
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Dim l,t,w,h,w1,h1 As Integer
diag.GetBound(l,t,w,h)
diag.Depict(strmol)
diag.GetBound(w,h,w1,h1)
diag.SetBound(l,t,w1,h1)
End Sub
'***LIBRARY PROCEDURES END
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