David Cosgrove d7e1ce7cf4 Rascal Fix 8360 (#8376) ...

* Use distances on all valid paths rather than just shortest distance.

* Optimise BondPaths.

* Optimise BondPaths.

* Hash coded for the bond paths.

* Faster find all paths.

* Build in gcc working.

* Comment.

* Remove debugging code.

* Update GettingStartedInPython.rst.

* Now need to split the clique and keep the largest fragment.
Lots of warnings about how slow this is.
Split out long tests.

* Back out a lot of changes.  Remove the distance check with singleLargestFrag when building modular product.

* Tidy code.
Update docstrings.
Add explanation to GettingStartedInPython.rst.

* Fix single fragment test.

* Response to review.

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Co-authored-by: David Cosgrove <david@cozchemix.co.uk>

2025-04-08 10:12:58 +02:00

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