src.objective.Objective Class Reference

Objective function. More...

Inheritance diagram for src.objective.Objective:

Collaboration diagram for src.objective.Objective:

Public Member Functions
def	__init__ (self, options, tgt_opts, forcefield)
def	Target_Terms (self, mvals, Order=0, verbose=False, customdir=None)
def	Indicate (self)
	Print objective function contributions. More...
def	Full (self, vals, Order=0, verbose=False, customdir=None)

Public Attributes
	Targets
	Work Queue Port (The specific target itself may or may not actually use this.) More...
	FF
	The force field (it seems to be everywhere) More...
	Penalty
	Initialize the penalty function. More...
	WTot
	Obtain the denominator. More...
	ObjDict
	ObjDict_Last

Detailed Description

Objective function.

The objective function is a combination of contributions from the different fitting targets. Basically, it loops through the targets, gets their contributions to the objective function and then sums all of them (although more elaborate schemes are conceivable). The return value is the same data type as calling the target itself: a dictionary containing the objective function, the gradient and the Hessian.

The penalty function is also computed here; it keeps the parameters from straying too far from their initial values.

Parameters

[in]	mvals	The mathematical parameters that enter into computing the objective function
[in]	Order	The requested order of differentiation

Definition at line 146 of file objective.py.

Constructor & Destructor Documentation

__init__()

def src.objective.Objective.__init__	(		self,
			options,
			tgt_opts,
			forcefield
	)

Definition at line 147 of file objective.py.

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Member Function Documentation

Full()

def src.objective.Objective.Full	(		self,
			vals,
			Order = 0,
			verbose = False,
			customdir = None
	)

Definition at line 308 of file objective.py.

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Indicate()

def src.objective.Objective.Indicate

(

self

)

Print objective function contributions.

Definition at line 269 of file objective.py.

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Target_Terms()

def src.objective.Objective.Target_Terms	(		self,
			mvals,
			Order = 0,
			verbose = False,
			customdir = None
	)

Definition at line 206 of file objective.py.

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Member Data Documentation

FF

src.objective.Objective.FF

The force field (it seems to be everywhere)

Definition at line 185 of file objective.py.

ObjDict

src.objective.Objective.ObjDict

Definition at line 195 of file objective.py.

ObjDict_Last

src.objective.Objective.ObjDict_Last

Definition at line 196 of file objective.py.

Penalty

src.objective.Objective.Penalty

Initialize the penalty function.

Definition at line 187 of file objective.py.

Targets

src.objective.Objective.Targets

Work Queue Port (The specific target itself may or may not actually use this.)

Asynchronous objective function evaluation (i.e. execute Work Queue and local objective concurrently.) The list of fitting targets

Definition at line 163 of file objective.py.

WTot

src.objective.Objective.WTot

Obtain the denominator.

Definition at line 192 of file objective.py.

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The documentation for this class was generated from the following file:

• objective.py