variable magnitude orientational tensor object This object is usually constructed using the create_VarTensor() function in the module. The VarTensor object is used by .RDCPot and .CSAPot potential terms. The following parameters can be set [defaults in square brackets] Da - axial tensor component. Setting this modifies ths position of the p1 atom. Rh - rhombic tensor component. Setting this modifies ths position of the p2 atom. DaMax - maximum possible value of Da [50] verbose - if true, sporadically spit out info [False] oAtom - origin atom o2Atom - origin atom #2 (see below) xAtom - x-axis atom yAtom - y-axis atom zAtom - z-axis atom p1Atom - Da parameter atom p2Atom - rhombicity parameter atom potType - type of potential: "harmonic" or "square" ["harmonic"] expts - the potentials (RDCPots and CSAPots) which depend on this tensor. freedom - string used by varTensorTools.topologySetup to setup IVM topology. the above quantities may be retrieved using the member function form quantity(), while they are set using the form setQuantity(value). if the associated Simulation object is an EnsembleSimulation, additional functionality is available: accessors: ensembleAxis - boolean. If true, there is a separate value for tensor axis orientation for each ensemble member. True values are not yet supported for refinement. Default is 0(false). ensembleDa - boolean. If true, there is a separate value of Da for each structure. Default is 0(false). ensembleRh - boolean. If true, there is a separate value of rhombicity for each structure. Default is 0(false). scaleDa - weight on an energy term which weights spread in Da. This is only meaningful if ensembleDa is on. [default: 0] scaleRh - weight on an energy term which weights spread in rhombicity. This is only meaningful if ensembleRh is on. [default: 0] spreadDa - Target spread in Da. Deviations in Da of less than spreadDa (from the mean) do not count towards the Da spread energy term. [default value: 0] spreadRh - Target spread in rhombicity. Deviations in rhombicity of less than spreadRh (from the mean) do not count towards the rhombicity spread energy term. [default value: 0] In addition the followiong methods are provided: aveDa() - return the average value of Da aveRhombicity() - return the average value of rhombicity The energy term associated with spread in Da and Rh is scaleDa * < harmonicSquare( Da - ) > and scaleRh * < harmonicSquare( Rh - ) >, respectively. Implementation: required topology issues The VarTensor object is best used with the IVM module for coordinate minimization and manipulation. An example of such use is shown in the rdcPotTest.py script in the python/tests subdirectory. To exploit the full capabilities of the VarTensor object, seven atoms are used to represent tensor properties. A second origin atom (named OO2) is placed co-incident with atom OO. The axial tensor component Da is represented as Da_max * cos(theta1) where theta1 is the angle defined by atomX-atomOO-atomPA1. The rhombic tensor component is represented by 2/3 * sin(theta2) where theta2 is the angle defined by atomZ-atomOO2-atomPA2.