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StructureData Class

All the generated information of a structure model is collected in a class named 'StructureData'. Using this object oriented coding framework, one can take advantage of the default handle class in Matlab for ease of passing data between GUIs without redundant copy and renaming of data[1]. Note, the trick in How to modify coupling matrixes in COSMOSS is made possible by inheriting the handle class.

The class definition locates in:

/COSMOSS/MoleculeConstruction/@StructureData

Here is the properties and the methods defined in the StructureData class:

inheritance
handle
StructureData
+XYZ
+AtomName
+LocCenter
+LocMu
+LocAlpha
+GUI_Inputs
+hPlotFunc
+FilesName
+Children
+Extra
+LocFreq
+LocAnharm
+Beta
#Nmodes
#NAtoms
#NStucture
#LocAlphaM
#CoM
#OneExH
-Scaled_LocMu
-Scaled_LocAlpha
+SD_AtomicProperties(obj)
+SD_Trans(obj,V)
+SD_Rot(obj,R)
+SD_Comb2(obj1,obj2,CouplingType,Beta_NN)
+SD_PeptideDihedral(obj)
+SD_ScaleTransitions(obj,Scaling)
+SD_Copy(obj)
+SD_TransN(obj,V,N)
+SD_SetFrame(obj,Center_Ind,Z_Ind,XZ_Ind)
+SD_GetAmideI(obj)
+SD_1ExH(obj_SD)
+SD_Draw(obj_SD,varargin)
tags: COSMOSS code

  1. See Matlab help center for more information. ↩︎

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Jia-Jung Ho
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