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IMP Reference Guide
develop.d36d3deffb,2026/11/09
The Integrative Modeling Platform
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The space in which restraints are evaluated. More...
Inheritance diagram for IMP.jax.Space:The space in which restraints are evaluated.
See FreeSpace for the default unbounded space, or PeriodicSpace for a space that implements periodic boundary conditions.
Public Member Functions | |
| def | displacement |
| If given an array of particle-particle vectors, return an array of the corresponding displacement vectors in this space (e.g. More... | |
| def | distance |
| If given an array of particle-particle vectors, return an array of distances. More... | |
| def | shift |
| Shift r by dr and return new r. More... | |
| def | shift_indexes |
| Modify r[indexes] in place by adding dr. More... | |
| def IMP.jax.Space.displacement | ( | dr | ) |
If given an array of particle-particle vectors, return an array of the corresponding displacement vectors in this space (e.g.
the vectors between the closest periodic images of the particles). If given a single particle-particle vector, return a single displacement vector.
| def IMP.jax.Space.distance | ( | dr, | |
min_dist = None |
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| ) |
If given an array of particle-particle vectors, return an array of distances.
If given a single particle-particle vector, return a single distance.
If min_dist is given, every returned distance is clamped to be no less than min_dist. The gradient is zero (rather than NaN, as for the unclamped distance of a zero-length vector) wherever the clamp applies.
| def IMP.jax.Space.shift | ( | r, | |
| dr | |||
| ) |
| def IMP.jax.Space.shift_indexes | ( | r, | |
| indexes, | |||
| dr | |||
| ) |