1 | # Process with auto#m4te to create an -*- Autotest -*- test suite.
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2 | #
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3 | # see regression/... subdirs wherein for each of the cases and each check (enumerated) is a pre and post dir.
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4 | # In pre initial files are placed, in post results can be found to be checked by diff in this testsuite.
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5 |
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6 | AT_INIT([Molecular Builder - Fragmentation])
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7 | AT_TESTED(diff grep egrep fgrep)
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8 |
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9 | # Use colored output with new-enough Autotest.
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10 | #m4_ifdef([AT_COLOR_TESTS], [AT_COLOR_TESTS])
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11 |
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12 | # fragmentation of 1_2-dimethoxyethane
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13 | m4_include(1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane-order1.at)
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14 | m4_include(1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane-order2.at)
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15 | m4_include(1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane-order3.at)
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16 | m4_include(1_2-dimethoxyethane/testsuite-1_2-dimethoxyethane-order4.at)
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17 |
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18 | # fragmentation of 1_2-dimethylbenzene
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19 | m4_include(1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene-order1.at)
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20 | m4_include(1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene-order2.at)
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21 | m4_include(1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene-order3.at)
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22 | m4_include(1_2-dimethylbenzene/testsuite-1_2-dimethylbenzene-order4.at)
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23 |
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24 | # fragmentation of 2-methylcyclohexanone
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25 | m4_include(2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order1.at)
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26 | m4_include(2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order2.at)
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27 | m4_include(2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order3.at)
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28 | m4_include(2-methylcyclohexanone/testsuite-2-methylcyclohexanone-order4.at)
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29 |
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30 | # fragmentation of benzene
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31 | m4_include(benzene/testsuite-benzene-order1.at)
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32 | m4_include(benzene/testsuite-benzene-order2.at)
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33 | m4_include(benzene/testsuite-benzene-order3.at)
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34 | m4_include(benzene/testsuite-benzene-order4.at)
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35 | m4_include(benzene/testsuite-benzene-order5.at)
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36 | m4_include(benzene/testsuite-benzene-order6.at)
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37 |
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38 | # fragmentation of cholesterol
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39 | m4_include(cholesterol/testsuite-cholesterol-order1.at)
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40 | m4_include(cholesterol/testsuite-cholesterol-order2.at)
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41 | m4_include(cholesterol/testsuite-cholesterol-order3.at)
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42 | m4_include(cholesterol/testsuite-cholesterol-order4.at)
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43 |
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44 | # fragmentation of cycloheptane
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45 | m4_include(cycloheptane/testsuite-cycloheptane-order1.at)
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46 | m4_include(cycloheptane/testsuite-cycloheptane-order2.at)
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47 | m4_include(cycloheptane/testsuite-cycloheptane-order3.at)
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48 | m4_include(cycloheptane/testsuite-cycloheptane-order4.at)
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49 | m4_include(cycloheptane/testsuite-cycloheptane-order5.at)
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50 | m4_include(cycloheptane/testsuite-cycloheptane-order6.at)
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51 |
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52 | # fragmentation of dimethyl_bromomalonate
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53 | m4_include(dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order1.at)
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54 | m4_include(dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order2.at)
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55 | m4_include(dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order3.at)
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56 | m4_include(dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order4.at)
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57 | m4_include(dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order5.at)
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58 | m4_include(dimethyl_bromomalonate/testsuite-dimethyl_bromomalonate-order6.at)
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59 |
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60 | # fragmentation of glucose
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61 | m4_include(glucose/testsuite-glucose-order1.at)
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62 | m4_include(glucose/testsuite-glucose-order2.at)
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63 | m4_include(glucose/testsuite-glucose-order3.at)
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64 | m4_include(glucose/testsuite-glucose-order4.at)
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65 | m4_include(glucose/testsuite-glucose-order5.at)
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66 | m4_include(glucose/testsuite-glucose-order6.at)
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67 |
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68 | # fragmentation of heptan
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69 | m4_include(heptan/testsuite-heptan-order1.at)
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70 | m4_include(heptan/testsuite-heptan-order2.at)
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71 | m4_include(heptan/testsuite-heptan-order3.at)
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72 | m4_include(heptan/testsuite-heptan-order4.at)
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73 |
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74 | # fragmentation of isoleucine
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75 | m4_include(isoleucine/testsuite-isoleucine-order1.at)
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76 | m4_include(isoleucine/testsuite-isoleucine-order2.at)
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77 | m4_include(isoleucine/testsuite-isoleucine-order3.at)
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78 | m4_include(isoleucine/testsuite-isoleucine-order4.at)
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79 | m4_include(isoleucine/testsuite-isoleucine-order5.at)
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80 | m4_include(isoleucine/testsuite-isoleucine-order6.at)
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81 |
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82 | # fragmentation of neohexane
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83 | m4_include(neohexane/testsuite-neohexane-order1.at)
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84 | m4_include(neohexane/testsuite-neohexane-order2.at)
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85 | m4_include(neohexane/testsuite-neohexane-order3.at)
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86 | m4_include(neohexane/testsuite-neohexane-order4.at)
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87 | m4_include(neohexane/testsuite-neohexane-order5.at)
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88 | m4_include(neohexane/testsuite-neohexane-order6.at)
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89 |
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90 | # fragmentation of N_N-dimethylacetamide
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91 | m4_include(N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order1.at)
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92 | m4_include(N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order2.at)
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93 | m4_include(N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order3.at)
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94 | m4_include(N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order4.at)
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95 | m4_include(N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order5.at)
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96 | m4_include(N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide-order6.at)
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97 |
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98 | # fragmentation of proline
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99 | m4_include(proline/testsuite-proline-order1.at)
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100 | m4_include(proline/testsuite-proline-order2.at)
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101 | m4_include(proline/testsuite-proline-order3.at)
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102 | m4_include(proline/testsuite-proline-order4.at)
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103 | m4_include(proline/testsuite-proline-order5.at)
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104 | m4_include(proline/testsuite-proline-order6.at)
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105 |
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106 | # fragmentation of putrescine
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107 | m4_include(putrescine/testsuite-putrescine-order1.at)
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108 | m4_include(putrescine/testsuite-putrescine-order2.at)
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109 | m4_include(putrescine/testsuite-putrescine-order3.at)
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110 | m4_include(putrescine/testsuite-putrescine-order4.at)
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111 | m4_include(putrescine/testsuite-putrescine-order5.at)
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112 | m4_include(putrescine/testsuite-putrescine-order6.at)
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113 |
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114 | # fragmentation of tartaric_acid
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115 | m4_include(tartaric_acid/testsuite-tartaric_acid-order1.at)
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116 | m4_include(tartaric_acid/testsuite-tartaric_acid-order2.at)
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117 | m4_include(tartaric_acid/testsuite-tartaric_acid-order3.at)
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118 | m4_include(tartaric_acid/testsuite-tartaric_acid-order4.at)
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119 | m4_include(tartaric_acid/testsuite-tartaric_acid-order5.at)
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120 | m4_include(tartaric_acid/testsuite-tartaric_acid-order6.at)
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