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lrjohnson494 avatar lrjohnson494 commented on May 24, 2024

I found the issue, it is from the reaction mechanism I fed into the mkm file. I wasn't careful with the empty site balancing.

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Shedo28 avatar Shedo28 commented on May 24, 2024

Hello @lrjohnson494, I just encountered similar issue at the moment, I've been trying all day to resolve it but to no avail. I've perused my .mkm file (rxn expression file), all sites including empty sites are balanced.

I have no issue with the compilation as I've ran several jobs after compiling CatMAP. Below are the output errors, which I guess are similar to yours.

Traceback (most recent call last):
File "mkm_job.py", line 7, in
File "/home/shed/.local/lib/python3.8/site-packages/catmap/model.py", line 260, in run
self.descriptor_space_analysis()
File "/home/shed/.local/lib/python3.8/site-packages/catmap/model.py", line 324, in descriptor_space_analysis
self.mapper.get_output_map(self.descriptor_ranges,self.resolution)
File "/home/shed/.local/lib/python3.8/site-packages/catmap/mappers/mapper_base.py", line 89, in get_output_map
self.solver.compile()
File "/home/shed/.local/lib/python3.8/site-packages/catmap/solvers/steady_state_solver.py", line 429, in compile
self.generate_static_functions()
File "/home/shed/.local/lib/python3.8/site-packages/catmap/model.py", line 357, in generate_static_functions
exec(func_string, globals(), locs)
File "", line 730
J[0][0] = 0 + 2*(-7*kf[7]*theta[10]*s[0]*s[0]*s[0]*s[0]*s[0]*s[0] + (kfkBT[7])*dEf[7][0]*theta[10]*s[0]*s[0]*s[0]*s[0]*s[0]s[0]s[0] - kr[7](-6theta[0]*s[0]*s[0]*s[0]*s[0]s[0] + 2s[0]theta[0]) - (krkBT[7])*dEr[7][0]*theta[0]*theta[0]*s[0]*s[0]*s[0]*s[0]s[0]s[0]) + 1(-6kf[12]*theta[12]*theta[21]*s[0]*s[0]*s[0]*s[0]*s[0] + (kfkBT[12])*dEf[12][0]*theta[12]*theta[21]*s[0]*s[0]*s[0]*s[0]s[0]s[0] - kr[12](-5theta[0]*s[0]*s[0]*s[0]s[0] + 1s[0])*theta[2]*theta[21] - (krkBT[12])*dEr[12][0]*theta[0]*theta[2]*theta[21]*s[0]*s[0]*s[0]s[0]s[0]) + 1(-6kf[16]*theta[11]*theta[21]*s[0]*s[0]*s[0]*s[0]*s[0] + (kfkBT[16])*dEf[16][0]*theta[11]*theta[21]*s[0]*s[0]*s[0]*s[0]s[0]s[0] - kr[16](-5theta[0]*s[0]*s[0]*s[0]s[0] + 1s[0])*theta[1]*theta[21] - (krkBT[16])*dEr[16][0]*theta[0]*theta[1]*theta[21]*s[0]*s[0]*s[0]s[0]s[0]) + 1(-5kf[20]*theta[14]*theta[21]*theta[21]*s[0]*s[0]*s[0]*s[0] + (kfkBT[20])*dEf[20][0]*theta[14]*theta[21]*theta[21]*s[0]*s[0]*s[0]s[0]s[0] - kr[20](-4theta[0]*s[0]*s[0]s[0] + 1s[0])*theta[4]*theta[21]*theta[21] - (krkBT[20])*dEr[20][0]*theta[0]*theta[4]*theta[21]*theta[21]*s[0]*s[0]s[0]s[0]) + 1(-5kf[27]*theta[13]*theta[21]*theta[21]*s[0]*s[0]*s[0]*s[0] + (kfkBT[27])*dEf[27][0]*theta[13]*theta[21]*theta[21]*s[0]*s[0]*s[0]s[0]s[0] - kr[27](-4theta[0]*s[0]*s[0]s[0] + 1s[0])*theta[3]*theta[21]*theta[21] - (krkBT[27])*dEr[27][0]*theta[0]*theta[3]*theta[21]*theta[21]*s[0]*s[0]s[0]s[0]) + 1(-4kf[40]*theta[15]*theta[21]*theta[21]*theta[21]*s[0]*s[0]*s[0] + (kfkBT[40])*dEf[40][0]*theta[15]*theta[21]*theta[21]*theta[21]*s[0]*s[0]s[0]s[0] - kr[40](-3theta[0]*s[0]s[0] + 1s[0])*theta[5]*theta[21]*theta[21]*theta[21] - (krkBT[40])*dEr[40][0]*theta[0]*theta[5]*theta[21]*theta[21]*theta[21]*s[0]*s[0]*s[0])
^
SyntaxError: invalid syntax

Please everyone in the community, I need a resolution to this. Your kind assistance will be highly appreciated.

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