Trajectory with more than 1000 frames

royallgroup / TCC

The Topological Cluster Classification algorithm

https://royallgroup.github.io/TCC/

GNU General Public License v3.0

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Closed FTurci closed 5 years ago

FTurci commented 5 years ago

I have tried to analyse a trajectory with more than 1000 frames using the latest master version. I get the message

"XYZ file has over 1000 frames, cannot process XYZ file"

I do not see why we would have a hard, non configurable limit at 1000 frames. In the code, it seems that the values is even hardcoded.

I propose, at least, that we should use a #define directive so that the number can be changed at compilation time.

merrygoat commented 5 years ago

It's something to do with mallocing the cluster storage arrays as far as I can remember. I'll have a look.

merrygoat commented 5 years ago

Tested to work on over 1000 frames and valgrind says I have no memory leaks so we should be good but let me know if this breaks anything.