FrequencyEnum

class mrsimulator.method.frequency_contrib.FrequencyEnum(value)

Bases: str, Enum

Enumeration for selecting specific frequency contributions. The enumerations are:

Shielding1_0

Selects first-order and zeroth-rank nuclear shielding frequency contributions.

Type:

str

Shielding1_2

Selects first-order and second-rank nuclear shielding frequency contributions.

Type:

str

Quad1_2

Selects first-order and second-rank quadrupolar frequency contributions.

Type:

str

Quad2_0

Selects second-order and zeroth-rank quadrupolar frequency contributions.

Type:

str

Quad2_2

Selects second-order and second-rank quadrupolar frequency contributions.

Type:

str

Quad2_4

Selects second-order and fourth-rank quadrupolar frequency contributions.

Type:

str

J1_0

Selects first-order and zeroth-rank weak J-coupling frequency contributions.

Type:

str

J1_2

Selects first-order and second-rank weak J-coupling frequency contributions.

Type:

str

D1_2

Selects first-order and second-rank weak dipole frequency contributions.

Type:

str

Quad_Shielding_cross_0

Selects zeroth-rank quad-shielding cross interaction.

Type:

str

Quad_Shielding_cross_2

Selects second-rank quad-shielding cross-interaction.

Type:

str

Quad_Shielding_cross_4

Selects fourth-rank quad-shielding cross-interaction.

Type:

str

Quad_J_cross_0

Selects zeroth-rank quad-J-coupling cross-interaction.

Type:

str

Quad_J_cross_2

Selects second-rank quad-J-coupling cross-interaction.

Type:

str

Quad_J_cross_4

Selects fourth-rank quad-J-coupling cross-interaction.

Type:

str

Quad_Dipolar_cross_0

Selects zeroth-rank quad-dipolar coupling cross-interaction.

Type:

str

Quad_Dipolar_cross_2

Selects second-rank quad-dipolar coupling cross-interaction.

Type:

str

Quad_Dipolar_cross_4

Selects fourth-rank quad-dipolar coupling cross-interaction.

Type:

str

There are also shortcuts for including/excluding sets of contributions together. Frequency contributions can be excluded by including an exclamation mark in front of the string, for example "!Shielding" excludes all shielding interactions. The allowed shortcuts are:

Shortcuts

"Shielding":

Selects all shielding interactions

"Isotropic":

Selects first-order zeroth-rank shielding and first-order zeroth-rank J coupling interactions

"Quad":

Selects all quadrupolar interactions

"J":

Selects all J coupling interactions

"D":

Selects all dipolar interactions

"cross":

Selects all cross-term interactions

"Quad_Shielding_cross":

Selects all quadrupolar-shielding cross-terms

"Quad_J_cross":

Selects all quadrupolar-J-coupling cross-terms

"Quad_D_cross":

Selects all quadrupolar-dipolar-coupling cross-terms

"First_order":

Selects all first-order interactions

"Second_order":

Selects all second-order interactions

"Zeroth_rank":

Selects all zeroth-rank interactions

"Second_rank":

Selects all second-rank interactions

"Fourth_rank":

Selects all fourth-rank interactions

json(**kwargs) → str

Parse the class object to a JSON compliant python dictionary object.