Package schrodinger :: Package structutils :: Package interactions :: Module pi :: Class PiPiInteraction

Class PiPiInteraction

object --+
         |
        PiPiInteraction

The object that stores the data for a Pi-Pi interaction

Instance Methods

__init__(self, struct1, struct2, ring1, ring2, face_to_face)
Create a PiPiInteraction object

Inherited from object: __delattr__, __format__, __getattribute__, __hash__, __new__, __reduce__, __reduce_ex__, __repr__, __setattr__, __sizeof__, __str__, __subclasshook__

Instance Variables

schrodinger.structure.Structure object

struct1
structure that contains the first ring

schrodinger.structure.Structure object

struct2
structure that contains the second ring

Centroid object

ring1
the centroid of the first ring

Centroid object

ring2
the centroid of the second ring

bool

face_to_face
True if the interaction is face to face, false if it is edge to face

Properties

float distance

float angle

Inherited from object: __class__

Method Details

Create a PiPiInteraction object

Parameters:

struct1 (schrodinger.structure.Structure object) - structure that contains the first ring
struct2 (schrodinger.structure.Structure object) - structure that contains the second ring
ring1 (Centroid object) - Centroid of the first ring
ring2 (Centroid object) - Centroid of the second ring
distance (float) - distance between the centroids
angle (float) - angle in degrees between the two ring planes
face_to_face (bool) - True if the interaction is face to face, False if it is edge to face

Overrides: object.__init__

Property Details