Optimizer class to locate a block that best fits a specific habitus
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Methods
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Bestabc GridSearchzyx Optimizezyx Sphere Value __init__
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Bestabc
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Bestabc (
self,
z,
y,
x,
)
Calculate the smallest a,b,c of a block that fits around the crystal
at orientation z,y,x |
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GridSearchzyx
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GridSearchzyx ( self )
Quick pre-scan for different orientations of the block to find a small-
volume |
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Optimizezyx
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Optimizezyx (
self,
z,
y,
x,
)
Find the optimal rotation of a block using SimplexOptimization,
starting at rotation angles of z,y,x |
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Sphere
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Sphere ( self )
Calculate smallest radius of sphere needed to cover the crystal
and its score. |
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Value
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Value ( self, v )
Calculate volume of best crystal block at orientation v (z,y,x) |
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__init__
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__init__ ( self, hab )
Requires a single argument hab representing a crystal
habitus object.
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