From 600c7ee5728aa23c963828df22b6e0c94038a3ed Mon Sep 17 00:00:00 2001 From: David Parkhurst Date: Mon, 6 May 2019 15:22:52 -0600 Subject: [PATCH] Fixed some bugs with iso.dat inverse modeling, added test case. Still does not generate [13C](4) and [13C](-4) from SOLUTION --- tidy.cpp | 12 +++++++++++- 1 file changed, 11 insertions(+), 1 deletion(-) diff --git a/tidy.cpp b/tidy.cpp index 72e55366..f3b15be8 100644 --- a/tidy.cpp +++ b/tidy.cpp @@ -1435,7 +1435,17 @@ tidy_inverse(void) inverse[i].elts[j].master->in = TRUE; } s_eminus->primary->in = TRUE; /* Include electrons */ - master_alk_ptr->in = TRUE; /* Include alkalinity */ + if (master_alk_ptr) + { + master_alk_ptr->in = TRUE; /* Include alkalinity */ + } + else + { + input_error++; + error_string = sformatf( + "Alkalinity must be defined in SOLUTION_MASTER_SPECIES to be able to use INVERSE_MODELING."); + error_msg(error_string, CONTINUE); + } /* * Unmark primary and mark secondary master species for redox elements */