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 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 Selects

"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.