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2015-3 Schrodinger Python API
Package schrodinger
::
Package application
::
Package canvas
::
Module r_group_dee
:: Class DEE_EnergyMatrix
[
hide private
]
[
frames
] |
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]
Class DEE_EnergyMatrix
Instance Methods
[
hide private
]
__init__
(
self
,
choices
,
uij
)
numPos
(
self
)
numChoices
(
self
)
calculateEnergy
(
self
,
solution
)
calculateEnergyDifference
(
self
,
solution_old
,
e_old
,
istruct
,
solution_new
)
initialSolution
(
self
)
checkSolution
(
self
,
solution
)
convertSolution
(
self
,
solution
)
applyEnergyFilter
(
self
,
solution
,
current_energy
)
eliminateSingles
(
self
)
eliminatePairs
(
self
)
applyGoldsteinSingles
(
self
,
k
,
a
,
b
)
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2015-3 Schrodinger Python API
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