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The comment made in the chem_annotated.inp file caused ChemkinError.
It seems that the _removeLineBreaks function in chemkin.pyx could not recognize the comment starting with "Total Standard Deviation in ln(k)".
Here is the comment in the chem_annotated.inp file: (edit: I just found that I've pasted a wrong part; this is the part that has a ChemkinError.)
! Reaction index: Chemkin #5; RMG #1064
! Template reaction: R_Recombination
! Flux pairs: C8H9(256), S(542); C4H5(1), S(542);
! BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CClNOSSi->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R
! Total Standard Deviation in ln(k): 11.5401827615
! Exact match found for rate rule [Root_N-1R->H_N-1CClNOSSi->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R]
! Euclidian distance = 0
! Multiplied by reaction path degeneracy 2.0
! family: R_Recombination
C8H9(256)+C4H5(1)=S(542) 3.535860e+16 -1.003 0.000
The text was updated successfully, but these errors were encountered:
It would be helpful to post the trace message (the sequence of files) so we can see the chain of calls. It is probably printed right above that error message
Bug Description
The comment made in the chem_annotated.inp file caused ChemkinError.
It seems that the _removeLineBreaks function in chemkin.pyx could not recognize the comment starting with "Total Standard Deviation in ln(k)".
Here is the comment in the chem_annotated.inp file: (edit: I just found that I've pasted a wrong part; this is the part that has a ChemkinError.)
! Reaction index: Chemkin #5; RMG #1064
! Template reaction: R_Recombination
! Flux pairs: C8H9(256), S(542); C4H5(1), S(542);
! BM rule fitted to 2 training reactions at node Root_N-1R->H_N-1CClNOSSi->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R
! Total Standard Deviation in ln(k): 11.5401827615
! Exact match found for rate rule [Root_N-1R->H_N-1CClNOSSi->N_N-1COS->O_1CS->C_1C-inRing_Ext-1C-R_Sp-3R!H-1C_N-2R-inRing_Ext-2R-R]
! Euclidian distance = 0
! Multiplied by reaction path degeneracy 2.0
! family: R_Recombination
C8H9(256)+C4H5(1)=S(542) 3.535860e+16 -1.003 0.000
The text was updated successfully, but these errors were encountered: