From 17082c2e3827f3acfd42332d2c7a17195bf787b0 Mon Sep 17 00:00:00 2001 From: Nathan Yee Date: Mon, 17 Mar 2014 13:49:24 -0400 Subject: [PATCH 1/5] Add wrapper for testing database Running the function EvaluateKinetics.py will use the new checkWellFormed database and make an output file called DatabaseWellFormedSummary.txt in the RMG-database folder --- EvaluateKinetics.py | 47 ++++++++++++++++++++++++++++++++++++++++++--- 1 file changed, 44 insertions(+), 3 deletions(-) diff --git a/EvaluateKinetics.py b/EvaluateKinetics.py index c82b99f842..5c30abab29 100644 --- a/EvaluateKinetics.py +++ b/EvaluateKinetics.py @@ -421,6 +421,47 @@ def LeaveOneOut(FullDatabase, trialDir): print 'These families had errors:', familiesWithErrors return +def checkFamilies(FullDatabase): + familyStatus={} + for family in FullDatabase.kinetics.families: + print family + familyStatus[family]=FullDatabase.kinetics.families[family].checkWellFormed() + + with open(r'DatabaseWellFormedSummary.txt', 'wb') as outputFile: + for family, problems in familyStatus.iteritems(): + problemsExist=[] + for problem in problems: + problemsExist.append(not problem==[] and not problem=={}) + if not problemsExist==[False, False, False, False, False]: + outputFile.write(family + '\n') + if problemsExist[0]: + outputFile.write('\n' + 'These groups exist in rules.py but not groups.py:' + '\n') + for group in problems[0]: + outputFile.write(group + '\n') + if problemsExist[1]: + outputFile.write('\n' + 'These groups do not match the definition in the rule' + '\n') + for rule, groups in problems[1].iteritems(): + for group in groups: + if group==groups[-1]: + if len(groups)>1: + outputFile.write('and ') + outputFile.write(group + ' ') + else: + outputFile.write(group +', ' ) + outputFile.write('in ' + rule + '\n') + if problemsExist[2]: + outputFile.write('\n' + 'These groups are not in the tree:' + '\n') + for group in problems[2]: + outputFile.write(group + '\n') + if problemsExist[3]: + outputFile.write('\n' + 'These groups are not actually subgroups of their parent' + '\n') + for group, parent in problems[3].iteritems(): + outputFile.write('Child: ' + group + ', Parent: ' + parent + '\n') + if problemsExist[4]: + outputFile.write('\n' + 'These groups are probably products, but you should check them anyway' + '\n') + for group in problems[4]: + outputFile.write(group + '\n') + outputFile.write('\n\n') if __name__ == '__main__': @@ -434,9 +475,9 @@ def LeaveOneOut(FullDatabase, trialDir): path='C:\RMG-database\input' # FullDatabase.load(thermoLibraries=) FullDatabase.load(path) + checkFamilies(FullDatabase) # trialDir=r'C:\Users\User1\Dropbox\Research\RMG\kinetics\LeaveOneOut\test' - trialDir=r'C:\RMG-database\input_test' - FullDatabase.save(trialDir) +# trialDir=r'C:\RMG-database\input_test' # family=FullDatabase.kinetics.families['Disproportionation'] # entryKey='Y_1centerbirad;O_Cdrad' # @@ -447,6 +488,6 @@ def LeaveOneOut(FullDatabase, trialDir): # NISTExact(FullDatabase, trialDir) # countNodesAll(NISTDatabase, trialDir) - consistencyTest(FullDatabase) +# consistencyTest(FullDatabase) # LeaveOneOut(FullDatabase, trialDir) \ No newline at end of file From fb48179d663978eedeef2762e6f324a84a126dc7 Mon Sep 17 00:00:00 2001 From: Nathan Yee Date: Fri, 28 Mar 2014 16:26:10 -0400 Subject: [PATCH 2/5] Add output for checking for unique groups Another check that needs to be done is if each group is unique. I have added lines for output of that from checkWellFormed --- EvaluateKinetics.py | 19 +++++++++++++++---- 1 file changed, 15 insertions(+), 4 deletions(-) diff --git a/EvaluateKinetics.py b/EvaluateKinetics.py index 5c30abab29..a99ffef980 100644 --- a/EvaluateKinetics.py +++ b/EvaluateKinetics.py @@ -432,7 +432,7 @@ def checkFamilies(FullDatabase): problemsExist=[] for problem in problems: problemsExist.append(not problem==[] and not problem=={}) - if not problemsExist==[False, False, False, False, False]: + if True in problemsExist: outputFile.write(family + '\n') if problemsExist[0]: outputFile.write('\n' + 'These groups exist in rules.py but not groups.py:' + '\n') @@ -454,12 +454,23 @@ def checkFamilies(FullDatabase): for group in problems[2]: outputFile.write(group + '\n') if problemsExist[3]: + outputFile.write('\n' + 'These groups are not unique' + '\n') + for key, groups in problems[3].iteritems(): + outputFile.write(key + ' matches ') + for group in groups: + if group==groups[-1]: + if len(groups)>1: + outputFile.write('and ') + outputFile.write(group + '\n') + else: + outputFile.write(group +', ' ) + if problemsExist[4]: outputFile.write('\n' + 'These groups are not actually subgroups of their parent' + '\n') - for group, parent in problems[3].iteritems(): + for group, parent in problems[4].iteritems(): outputFile.write('Child: ' + group + ', Parent: ' + parent + '\n') - if problemsExist[4]: + if problemsExist[5]: outputFile.write('\n' + 'These groups are probably products, but you should check them anyway' + '\n') - for group in problems[4]: + for group in problems[5]: outputFile.write(group + '\n') outputFile.write('\n\n') if __name__ == '__main__': From 6513a2d845af7916bf7913ad899af2824040a071 Mon Sep 17 00:00:00 2001 From: Nathan Yee Date: Fri, 28 Mar 2014 14:27:15 -0400 Subject: [PATCH 3/5] fix AdjList in rules of Intra_R_Add_Exocyclic Many of the adj lists in the rules did not match that of the groups. In this family, all the groups were always more general than the rules version, so I've changed the rule's adjList to be the same as the groups This error was found using the checkWellFormed function --- .../families/Intra_R_Add_Exocyclic/rules.py | 468 +++++++++--------- 1 file changed, 234 insertions(+), 234 deletions(-) diff --git a/input/kinetics/families/Intra_R_Add_Exocyclic/rules.py b/input/kinetics/families/Intra_R_Add_Exocyclic/rules.py index c7fb7e2c3f..e9c273c5ab 100644 --- a/input/kinetics/families/Intra_R_Add_Exocyclic/rules.py +++ b/input/kinetics/families/Intra_R_Add_Exocyclic/rules.py @@ -18,8 +18,8 @@ group1 = "OR{R4, R5, R6, R7}", group2 = """ -1 *2 {Cd,Ct,CO} 0 {2,{D,T}} -2 *3 {Cd,Ct,Od} 0 {1,{D,T}} +1 *2 {Cd,Ct,CO,N} 0 {2,{D,T}} +2 *3 {Cd,Ct,Od,Cdd,N} 0 {1,{D,T}} """, group3 = """ @@ -56,7 +56,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -102,7 +102,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -149,12 +149,12 @@ 3 *6 {Cd,Ct,Cb} 0 {2,{D,T,B}} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ 1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} +2 *3 {Cd,Cdd} 0 {1,D} """, group3 = """ @@ -192,12 +192,12 @@ 3 *6 {Cd,Ct,Cb} 0 {2,S} {4,{D,T,B}} 4 *5 {Cd,Ct,Cb} 0 {3,{D,T,B}} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ 1 *2 Cd 0 {2,D} -2 *3 Cd 0 {1,D} +2 *3 {Cd,Cdd} 0 {1,D} """, group3 = """ @@ -234,7 +234,7 @@ 2 *4 Cd 0 {1,S} {3,D} 3 *5 Cd 0 {2,D} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -280,7 +280,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -340,7 +340,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -387,7 +387,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -434,7 +434,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -481,7 +481,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -528,7 +528,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -575,7 +575,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -622,7 +622,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -669,7 +669,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -715,7 +715,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -762,7 +762,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -809,7 +809,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -856,7 +856,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -903,7 +903,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -950,7 +950,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -997,7 +997,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1044,7 +1044,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1090,7 +1090,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1137,7 +1137,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1184,7 +1184,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1231,7 +1231,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1278,7 +1278,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1325,7 +1325,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1372,7 +1372,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1419,7 +1419,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1465,7 +1465,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1512,7 +1512,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1559,7 +1559,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1606,7 +1606,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1653,7 +1653,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1700,7 +1700,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1747,7 +1747,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1794,7 +1794,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1840,7 +1840,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1887,7 +1887,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1934,7 +1934,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -1981,7 +1981,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2028,7 +2028,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2075,7 +2075,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2122,7 +2122,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2169,7 +2169,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2215,7 +2215,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2262,7 +2262,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2309,7 +2309,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2356,7 +2356,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2403,7 +2403,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2450,7 +2450,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2497,7 +2497,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2544,7 +2544,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2590,7 +2590,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2637,7 +2637,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2684,7 +2684,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2731,7 +2731,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2778,7 +2778,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2825,7 +2825,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2872,7 +2872,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2919,7 +2919,7 @@ 3 *6 R!H 0 {2,S} {4,S} 4 *5 R!H 0 {3,S} {5,S} 5 *2 Cd 0 {4,S} {6,D} -6 *3 Cd 0 {5,D} +6 *3 {Cd,Cdd} 0 {5,D} """, group2 = """ @@ -2963,7 +2963,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3008,7 +3008,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3053,7 +3053,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3098,7 +3098,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3143,7 +3143,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3188,7 +3188,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3233,7 +3233,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3278,7 +3278,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3322,7 +3322,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3367,7 +3367,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3412,7 +3412,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3457,7 +3457,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3502,7 +3502,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3547,7 +3547,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3592,7 +3592,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3637,7 +3637,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3681,7 +3681,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3726,7 +3726,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3771,7 +3771,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3816,7 +3816,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3861,7 +3861,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3906,7 +3906,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3951,7 +3951,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -3996,7 +3996,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4040,7 +4040,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4085,7 +4085,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4130,7 +4130,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4175,7 +4175,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4220,7 +4220,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4265,7 +4265,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4310,7 +4310,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4355,7 +4355,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4399,7 +4399,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4444,7 +4444,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4489,7 +4489,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4534,7 +4534,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4579,7 +4579,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4624,7 +4624,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4669,7 +4669,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4714,7 +4714,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4758,7 +4758,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4803,7 +4803,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4848,7 +4848,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4893,7 +4893,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4938,7 +4938,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -4983,7 +4983,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5028,7 +5028,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5073,7 +5073,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5117,7 +5117,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5162,7 +5162,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5207,7 +5207,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5252,7 +5252,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5297,7 +5297,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5342,7 +5342,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5387,7 +5387,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5432,7 +5432,7 @@ 1 *1 R!H 1 {2,S} 2 *4 R!H 0 {1,S} {3,S} 3 *2 Cd 0 {2,S} {4,D} -4 *3 Cd 0 {3,D} +4 *3 {Cd,Cdd} 0 {3,D} """, group2 = """ @@ -5477,7 +5477,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5523,7 +5523,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5569,7 +5569,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5615,7 +5615,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5661,7 +5661,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5707,7 +5707,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5753,7 +5753,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5799,7 +5799,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5844,7 +5844,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5890,7 +5890,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5936,7 +5936,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -5982,7 +5982,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6028,7 +6028,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6074,7 +6074,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6120,7 +6120,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6166,7 +6166,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6211,7 +6211,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6257,7 +6257,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6303,7 +6303,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6349,7 +6349,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6395,7 +6395,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6441,7 +6441,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6487,7 +6487,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6533,7 +6533,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6578,7 +6578,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6624,7 +6624,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6670,7 +6670,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6716,7 +6716,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6762,7 +6762,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6808,7 +6808,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6854,7 +6854,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6900,7 +6900,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6945,7 +6945,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -6991,7 +6991,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7037,7 +7037,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7083,7 +7083,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7129,7 +7129,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7175,7 +7175,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7221,7 +7221,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7267,7 +7267,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7312,7 +7312,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7358,7 +7358,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7404,7 +7404,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7450,7 +7450,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7496,7 +7496,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7542,7 +7542,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7588,7 +7588,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7634,7 +7634,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7679,7 +7679,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7725,7 +7725,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7771,7 +7771,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7817,7 +7817,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7863,7 +7863,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7909,7 +7909,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -7955,7 +7955,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -8001,7 +8001,7 @@ 2 *4 R!H 0 {1,S} {3,S} 3 *5 R!H 0 {2,S} {4,S} 4 *2 Cd 0 {3,S} {5,D} -5 *3 Cd 0 {4,D} +5 *3 {Cd,Cdd} 0 {4,D} """, group2 = """ @@ -8048,7 +8048,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8096,7 +8096,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8144,7 +8144,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8192,7 +8192,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8240,7 +8240,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8288,7 +8288,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8336,7 +8336,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8384,7 +8384,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8431,7 +8431,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8479,7 +8479,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8527,7 +8527,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8575,7 +8575,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8623,7 +8623,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8671,7 +8671,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8719,7 +8719,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8767,7 +8767,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8814,7 +8814,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8862,7 +8862,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8910,7 +8910,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -8958,7 +8958,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9006,7 +9006,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9054,7 +9054,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9102,7 +9102,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9150,7 +9150,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9197,7 +9197,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9245,7 +9245,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9293,7 +9293,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9341,7 +9341,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9389,7 +9389,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9437,7 +9437,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9485,7 +9485,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9533,7 +9533,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9580,7 +9580,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9628,7 +9628,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9676,7 +9676,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9724,7 +9724,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9772,7 +9772,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9820,7 +9820,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9868,7 +9868,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9916,7 +9916,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -9963,7 +9963,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10011,7 +10011,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10059,7 +10059,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10107,7 +10107,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10155,7 +10155,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10203,7 +10203,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10251,7 +10251,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10299,7 +10299,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10346,7 +10346,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10394,7 +10394,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10442,7 +10442,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10490,7 +10490,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10538,7 +10538,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10586,7 +10586,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10634,7 +10634,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ @@ -10682,7 +10682,7 @@ 4 *7 R!H 0 {3,S} {5,S} 5 *5 R!H 0 {4,S} {6,S} 6 *2 Cd 0 {5,S} {7,D} -7 *3 Cd 0 {6,D} +7 *3 {Cd,Cdd} 0 {6,D} """, group2 = """ From 99b300c0afff5d9ed008dd5e06dce3c91758012d Mon Sep 17 00:00:00 2001 From: Nathan Yee Date: Fri, 28 Mar 2014 14:40:56 -0400 Subject: [PATCH 4/5] Fix child relationships in R_Addition_Csm Some children were labelled with a "C" atom when the parent had a "Cs" atom causing a discrepency. Probably harmless, but it's better to be consistent --- .../kinetics/families/R_Addition_CSm/groups.py | 18 +++++++++--------- 1 file changed, 9 insertions(+), 9 deletions(-) diff --git a/input/kinetics/families/R_Addition_CSm/groups.py b/input/kinetics/families/R_Addition_CSm/groups.py index 45f61d9b64..e9dfaf2744 100644 --- a/input/kinetics/families/R_Addition_CSm/groups.py +++ b/input/kinetics/families/R_Addition_CSm/groups.py @@ -474,7 +474,7 @@ label = "C_rad/H2/Cs", group = """ -1 *2 C 1 {2,S} {3,S} {4,S} +1 *2 Cs 1 {2,S} {3,S} {4,S} 2 H 0 {1,S} 3 H 0 {1,S} 4 Cs 0 {1,S} @@ -497,10 +497,10 @@ label = "CH2CH3", group = """ -1 *2 C 1 {2,S} {3,S} {4,S} +1 *2 Cs 1 {2,S} {3,S} {4,S} 2 H 0 {1,S} 3 H 0 {1,S} -4 C 0 {1,S} {5,S} {6,S} {7,S} +4 Cs 0 {1,S} {5,S} {6,S} {7,S} 5 H 0 {4,S} 6 H 0 {4,S} 7 H 0 {4,S} @@ -523,10 +523,10 @@ label = "CH2CH2CH3", group = """ -1 *2 C 1 {2,S} {3,S} {4,S} +1 *2 Cs 1 {2,S} {3,S} {4,S} 2 H 0 {1,S} 3 H 0 {1,S} -4 C 0 {1,S} {5,S} {6,S} {7,S} +4 Cs 0 {1,S} {5,S} {6,S} {7,S} 5 H 0 {4,S} 6 H 0 {4,S} 7 C 0 {4,S} {8,S} {9,S} {10,S} @@ -690,7 +690,7 @@ label = "C_rad/H/NonDeC", group = """ -1 *2 C 1 {2,S} {3,S} {4,S} +1 *2 Cs 1 {2,S} {3,S} {4,S} 2 H 0 {1,S} 3 Cs 0 {1,S} 4 Cs 0 {1,S} @@ -713,10 +713,10 @@ label = "CH[CH3]2", group = """ -1 *2 C 1 {2,S} {3,S} {4,S} +1 *2 Cs 1 {2,S} {3,S} {4,S} 2 H 0 {1,S} -3 C 0 {1,S} {5,S} {6,S} {7,S} -4 C 0 {1,S} {8,S} {9,S} {10,S} +3 Cs 0 {1,S} {5,S} {6,S} {7,S} +4 Cs 0 {1,S} {8,S} {9,S} {10,S} 5 H 0 {3,S} 6 H 0 {3,S} 7 H 0 {3,S} From 155821c2f94973f511fe9a9c71003349148d213b Mon Sep 17 00:00:00 2001 From: Nathan Yee Date: Sun, 30 Mar 2014 16:23:26 -0400 Subject: [PATCH 5/5] Fix errors in Disproportionation family Errors found by checkWellFormed (and a few stumbled while making manual corrections). In rules.py - O2_birad named wrong, should be O2b -XH_Rrad_birad has been updated to a logic Or at some point, but not in the top most node -Same with Y_rad_birad_trirad_quadrad In groups.py -Deleted group N3_atom_quartet, which was an accidental duplicate group -deleted N5dd/H_d_Rrad, which was an accidental duplicate group -Changed atom type on N5d/H_d_Rrad, which was a typo or mistake from recent merge -Moved C_rad/H/O2 and C_rad/H/CsO appear to be placed under the wrong parent. They have been moved from under C_rad/H/NonDeN to under C_rad/H/NonDeO. -Changed Y_rad adj list, it used to be defined R-R* for some reason, but now I've made it just R*. This clears up several children errors. -Added H_rad to LogicOr of Y_rad_birad_trirad_quadrad. That one seems important. -Made group XH_Rrad more general by allowing single or double bonds. So that XH_d_Rrad is a child -Many groups do not include an N atom as possible atoms, restricting descending down to certain children. An N atom has been added to the following groups: O_Rrad, COpri_Rrad, C/H/DeDe_Rrad, C_rad/H/OneDe, C/H2/Nd_Rrad, Cmethyl_Rrad, C/H/NdDe_Rrad, Cdpri_Rrad, C/H2/De_Rrad, C/H/NdNd_Rrad, Cpri_Rrad, Csec_Rrad -Changed Ct_rad/Ct atom one from C to Ct so it is proper child -Changed an monoradical atom type from R to R!H in NH_s_Rrad, which must be true by definition. Also made same change for all children -For groups N3s/H/NonDe_s_Rrad and N3s/H/Deloc_s_Rrad, changed an atom from N to R!H based on name and consulting the creator bbuessar --- .../families/Disproportionation/groups.py | 100 +++++------------- .../families/Disproportionation/rules.py | 34 +++--- 2 files changed, 40 insertions(+), 94 deletions(-) diff --git a/input/kinetics/families/Disproportionation/groups.py b/input/kinetics/families/Disproportionation/groups.py index 45a5b2c2a2..94d6c1dd82 100644 --- a/input/kinetics/families/Disproportionation/groups.py +++ b/input/kinetics/families/Disproportionation/groups.py @@ -22,7 +22,7 @@ entry( index = 1, label = "Y_rad_birad_trirad_quadrad", - group = "OR{Y_1centerquadrad, Y_1centertrirad, Y_2centerbirad, Y_1centerbirad, Y_rad}", + group = "OR{Y_1centerquadrad, Y_1centertrirad, Y_2centerbirad, Y_1centerbirad, Y_rad, H_rad}", kinetics = None, reference = None, referenceType = "", @@ -41,8 +41,8 @@ label = "XH_Rrad", group = """ -1 *2 R!H 0 {2,S} {3,S} -2 *3 R!H 1 {1,S} +1 *2 R!H 0 {2,{S,D}} {3,S} +2 *3 R!H 1 {1,{S,D}} 3 *4 H 0 {1,S} """, kinetics = None, @@ -125,8 +125,7 @@ label = "Y_rad", group = """ -1 *1 R 1 {2,S} -2 R 0 {1,S} +1 *1 R 1 """, kinetics = None, reference = None, @@ -166,8 +165,8 @@ label = "Ct_rad/Ct", group = """ -1 *1 C 1 {2,T} -2 C 0 {1,T} +1 *1 Ct 1 {2,T} +2 Ct 0 {1,T} """, kinetics = None, reference = None, @@ -1097,7 +1096,7 @@ 1 *1 C 1 {2,S} {3,S} {4,S} 2 H 0 {1,S} 3 {Cd,Ct,Cb,CO} 0 {1,S} -4 {Cs,O,S} 0 {1,S} +4 {Cs,O,S,N} 0 {1,S} """, kinetics = None, reference = None, @@ -1440,7 +1439,7 @@ group = """ 1 *2 Cd 0 {2,S} {3,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} """, kinetics = None, @@ -1550,7 +1549,7 @@ group = """ 1 *2 CO 0 {2,S} {3,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} """, kinetics = None, @@ -1660,7 +1659,7 @@ group = """ 1 *2 O 0 {2,S} {3,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} """, kinetics = None, @@ -1858,7 +1857,7 @@ group = """ 1 *2 C 0 {2,S} {3,S} {4,S} {5,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} 4 H 0 {1,S} 5 H 0 {1,S} @@ -2002,7 +2001,7 @@ group = """ 1 *2 C 0 {2,S} {3,S} {4,S} {5,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} 4 H 0 {1,S} 5 R!H 0 {1,S} @@ -2026,7 +2025,7 @@ group = """ 1 *2 C 0 {2,S} {3,S} {4,S} {5,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} 4 H 0 {1,S} 5 {Cs,O,S} 0 {1,S} @@ -2146,7 +2145,7 @@ group = """ 1 *2 C 0 {2,S} {3,S} {4,S} {5,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} 4 H 0 {1,S} 5 {Cd,Ct,Cb,CO} 0 {1,S} @@ -2266,7 +2265,7 @@ group = """ 1 *2 C 0 {2,S} {3,S} {4,S} {5,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} 4 R!H 0 {1,S} 5 R!H 0 {1,S} @@ -2290,7 +2289,7 @@ group = """ 1 *2 C 0 {2,S} {3,S} {4,S} {5,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} 4 {Cs,O,S} 0 {1,S} 5 {Cs,O,S} 0 {1,S} @@ -2410,7 +2409,7 @@ group = """ 1 *2 C 0 {2,S} {3,S} {4,S} {5,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} 4 {Cs,O,S} 0 {1,S} 5 {Cd,Ct,Cb,CO} 0 {1,S} @@ -2530,7 +2529,7 @@ group = """ 1 *2 C 0 {2,S} {3,S} {4,S} {5,S} -2 *3 {Cs,Cd,CO,O,S} 1 {1,S} +2 *3 {Cs,Cd,CO,O,S,N} 1 {1,S} 3 *4 H 0 {1,S} 4 {Cd,Ct,Cb,CO} 0 {1,S} 5 {Cd,Ct,Cb,CO} 0 {1,S} @@ -2661,26 +2660,6 @@ ], ) -entry( - index = 201, - label = "N3_atom_quartet", - group = -""" -1 *1 N3s 3 -""", - kinetics = None, - reference = None, - referenceType = "", - shortDesc = u"""""", - longDesc = -u""" - -""", - history = [ - ("Mon Nov 4 10:25:25 2013","Beat Buesser ","action","""Beat Buesser created this value."""), - ], -) - entry( index = 202, label = "CH_quartet", @@ -3639,7 +3618,7 @@ group = """ 1 *2 N 0 {2,S} {3,S} -2 *3 R 1 {1,S} +2 *3 R!H 1 {1,S} 3 *4 H 0 {1,S} """, kinetics = None, @@ -3661,7 +3640,7 @@ group = """ 1 *2 N3s 0 {2,S} {3,S} -2 *3 R 1 {1,S} +2 *3 R!H 1 {1,S} 3 *4 H 0 {1,S} """, kinetics = None, @@ -3683,7 +3662,7 @@ group = """ 1 *2 N3s 0 {2,S} {3,S} {4,S} -2 *3 R 1 {1,S} +2 *3 R!H 1 {1,S} 3 *4 H 0 {1,S} 4 H 0 {1,S} """, @@ -3821,7 +3800,7 @@ group = """ 1 *2 N3s 0 {2,S} {3,S} {4,S} -2 *3 N 1 {1,S} +2 *3 R!H 1 {1,S} 3 *4 H 0 {1,S} 4 {Cs,N3s,Os} 0 {1,S} """, @@ -3844,7 +3823,7 @@ group = """ 1 *2 N3s 0 {2,S} {3,S} {4,S} -2 *3 N 1 {1,S} +2 *3 R!H 1 {1,S} 3 *4 H 0 {1,S} 4 {Cd,Ct,Cb,CO} 0 {1,S} """, @@ -3867,7 +3846,7 @@ group = """ 1 *2 {N5s,N5d} 0 {2,S} {3,S} -2 *3 R 1 {1,S} +2 *3 R!H 1 {1,S} 3 *4 H 0 {1,S} """, kinetics = None, @@ -4276,7 +4255,7 @@ label = "N5d/H_d_Rrad", group = """ -1 *2 N3d 0 {2,D} {3,S} +1 *2 N5d 0 {2,D} {3,S} 2 *3 R!H 1 {1,D} 3 *4 H 0 {1,S} """, @@ -4292,29 +4271,7 @@ ("Mon Nov 4 10:25:25 2013","Beat Buesser ","action","""Beat Buesser created this value."""), ], ) - -entry( - index = 275, - label = "N5dd/H_d_Rrad", - group = -""" -1 *2 N3d 0 {2,D} {3,S} -2 *3 R!H 1 {1,D} -3 *4 H 0 {1,S} -""", - kinetics = None, - reference = None, - referenceType = "", - shortDesc = u"""""", - longDesc = -u""" - -""", - history = [ - ("Mon Nov 4 10:25:25 2013","Beat Buesser ","action","""Beat Buesser created this value."""), - ], -) - + entry( index = 276, label = "XH_Rbirad", @@ -4874,9 +4831,9 @@ L4: C_sec_rad L5: C_rad/H/NonDeC L5: C_rad/H/NonDeO - L5: C_rad/H/NonDeN L6: C_rad/H/CsO L6: C_rad/H/O2 + L5: C_rad/H/NonDeN L5: C_rad/H/NonDeS L6: C_rad/H/CsS L6: C_rad/H/S2 @@ -5007,8 +4964,7 @@ L5: N3d/H_d_Rrad L6: N3d/H_d_Crad L6: N3d/H_d_Nrad - L5: N5d/H_d_Rrad - L5: N5dd/H_d_Rrad + L5: N5d/H_d_Rrad L2: XH_Rbirad L3: XH_s_Rbirad L4: CH_s_Rbirad diff --git a/input/kinetics/families/Disproportionation/rules.py b/input/kinetics/families/Disproportionation/rules.py index c62fdc8927..206fa6d3c7 100644 --- a/input/kinetics/families/Disproportionation/rules.py +++ b/input/kinetics/families/Disproportionation/rules.py @@ -11,13 +11,8 @@ entry( index = 485, label = "Y_rad_birad_trirad_quadrad;XH_Rrad_birad", - group1 = "OR{Y_1centerquadrad, Y_1centertrirad, Y_2centerbirad, Y_1centerbirad, Y_rad}", - group2 = -""" -1 *2 R!H 0 {2,S} {3,S} -2 *3 R!H 1 {1,S} -3 *4 H 0 {1,S} -""", + group1 = "OR{Y_1centerquadrad, Y_1centertrirad, Y_2centerbirad, Y_1centerbirad, Y_rad, H_rad}", + group2 ="OR{XH_Rrad, XH_Rbirad}", kinetics = ArrheniusEP( A = (300000000000.0, 'cm^3/(mol*s)'), n = 0, @@ -41,7 +36,7 @@ entry( index = 487, - label = "O2_birad;Cmethyl_Csrad", + label = "O2b;Cmethyl_Csrad", group1 = """ 1 *1 O 1 {2,S} @@ -715,7 +710,7 @@ entry( index = 501, - label = "O2_birad;C/H2/Nd_Csrad", + label = "O2b;C/H2/Nd_Csrad", group1 = """ 1 *1 O 1 {2,S} @@ -1295,7 +1290,7 @@ entry( index = 513, - label = "O2_birad;C/H/NdNd_Csrad", + label = "O2b;C/H/NdNd_Csrad", group1 = """ 1 *1 O 1 {2,S} @@ -1835,7 +1830,7 @@ entry( index = 524, - label = "O2_birad;Cdpri_Csrad", + label = "O2b;Cdpri_Csrad", group1 = """ 1 *1 O 1 {2,S} @@ -2261,7 +2256,7 @@ entry( index = 533, - label = "O2_birad;O_Csrad", + label = "O2b;O_Csrad", group1 = """ 1 *1 O 1 {2,S} @@ -2304,7 +2299,7 @@ entry( index = 534, - label = "O2_birad;O_Csrad", + label = "O2b;O_Csrad", group1 = """ 1 *1 O 1 {2,S} @@ -2347,7 +2342,7 @@ entry( index = 535, - label = "O2_birad;O_Csrad", + label = "O2b;O_Csrad", group1 = """ 1 *1 O 1 {2,S} @@ -3260,7 +3255,7 @@ entry( index = 555, - label = "O2_birad;O_Csrad", + label = "O2b;O_Csrad", group1 = """ 1 *1 O 1 {2,S} @@ -3326,18 +3321,13 @@ entry( index = 556, - label = "O2_birad;XH_Rrad_birad", + label = "O2b;XH_Rrad_birad", group1 = """ 1 *1 O 1 {2,S} 2 O 1 {1,S} """, - group2 = -""" -1 *2 R!H 0 {2,S} {3,S} -2 *3 R!H 1 {1,S} -3 *4 H 0 {1,S} -""", + group2 = "OR{XH_Rrad, XH_Rbirad}", kinetics = ArrheniusEP( A = (300000000000.0, 'cm^3/(mol*s)'), n = 0,