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Class: OptimizeBlock experiment/xtalform.py

Optimizer class to locate a block that best fits a specific habitus

Methods   
Bestabc
GridSearchzyx
Optimizezyx
Sphere
Value
__init__
  Bestabc 
Bestabc (
        self,
        z,
        y,
        x,
        )

Calculate the smallest a,b,c of a block that fits around the crystal at orientation z,y,x

  GridSearchzyx 
GridSearchzyx ( self )

Quick pre-scan for different orientations of the block to find a small- volume

  Optimizezyx 
Optimizezyx (
        self,
        z,
        y,
        x,
        )

Find the optimal rotation of a block using SimplexOptimization, starting at rotation angles of z,y,x

  Sphere 
Sphere ( self )

Calculate smallest radius of sphere needed to cover the crystal and its score.

  Value 
Value ( self,  v )

Calculate volume of best crystal block at orientation v (z,y,x)

  __init__ 
__init__ ( self,  hab )

  1. Requires a single argument hab representing a crystal habitus object.


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