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6
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1 <macros>
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2 <xml name="aid_cid_sid">
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3 <option value="aids">AIDs</option>
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4 <option value="cids">CIDs</option>
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5 <option value="sids">SIDs</option>
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6 </xml>
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8
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7 <xml name="acs_options">
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8 <option value="assay">BioAssay</option>
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9 <option value="compound">Compound</option>
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10 <option value="substance">Substance</option>
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11 </xml>
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6
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12 <xml name="cid_sid_type_options">
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13 <option value="all">all</option>
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14 <option value="standardized">standardized</option>
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15 <option value="component">component</option>
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16 </xml>
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17 <xml name="cid_cid_type_options">
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18 <option value="original">original</option>
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19 <option value="parent">parent</option>
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20 <option value="component">component</option>
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21 <option value="similar_2d">similar_2d</option>
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22 <option value="similar_3d">similar_3d</option>
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23 <option value="same_stereo">same_stereo</option>
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24 <option value="same_isotopes">same_isotopes</option>
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25 <option value="same_connectivity">same_connectivity</option>
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26 <option value="same_tautomer">same_tautomer</option>
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27 <option value="same_parent">same_parent</option>
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28 <option value="same_parent_stereo">same_parent_stereo</option>
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29 <option value="same_parent_isotopes">same_parent_isotopes</option>
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30 <option value="same_parent_connectivity">same_parent_connectivity</option>
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31 <option value="same_parent_tautomer">same_parent_tautomer</option>
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32 </xml>
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33 <xml name="sid_cid_type_options">
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34 <option value="all">all</option>
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35 <option value="standardized">standardized</option>
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36 <option value="component">component</option>
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37 </xml>
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38 <xml name="sid_sid_type_options">
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39 <option value="original">original</option>
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40 <option value="similar_2d">similar_2d</option>
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41 <option value="similar_3d">similar_3d</option>
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42 <option value="same_exact">same_exact</option>
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43 <option value="same_stereo">same_stereo</option>
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44 <option value="same_isotopes">same_isotopes</option>
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45 <option value="same_connectivity">same_connectivity</option>
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46 <option value="same_tautomer">same_tautomer</option>
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47 <option value="same_parent">same_parent</option>
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48 <option value="same_parent_stereo">same_parent_stereo</option>
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49 <option value="same_parent_isotopes">same_parent_isotopes</option>
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50 <option value="same_parent_connectivity">same_parent_connectivity</option>
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51 <option value="same_parent_tautomer">same_parent_tautomer</option>
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52 </xml>
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53 <xml name="aids_when_options">
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54
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55 <option value="all" selected="True">all</option>
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56 <option value="active">active</option>
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57 <option value="inactive">inactive</option>
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58 </xml>
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59 <xml name="option_compound_substance">
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60 <option value="assaysummary">Assaysummary</option>
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61 <option value="synonyms">Synonyms</option>
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62 <option value="record">Record</option>
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63 <option value="classification">Classification</option>
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64 <option value="description">Discription</option>
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65 <option value="xrefs">Xrefs</option>
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66 </xml>
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67 <xml name="compound_properties">
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68 <param name="property_compound" type="select" multiple="true" label="Specify Property">
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69 <option value="MolecularFormula">MolecularFormula</option>
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70 <option value="MolecularWeight">MolecularWeight</option>
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71 <option value="CanonicalSMILES">CanonicalSMILES</option>
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72 <option value="IsomericSMILES">IsomericSMILES</option>
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73 <option value="InChI">InChI</option>
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74 <option value="InChIKey">InChIKey</option>
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75 <option value="IUPACName">IUPACName</option>
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76 <option value="XLogP">XLogP</option>
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77 <option value="ExactMass">ExactMass</option>
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78 <option value="MonoisotopicMass">MonoisotopicMass</option>
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79 <option value="TPSA">TPSA</option>
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80 <option value="Complexity">Complexity</option>
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81 <option value="Charge">Charge</option>
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82 <option value="HBondDonorCount">HBondDonorCount</option>
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83 <option value="HBondAcceptorCount">HBondAcceptorCount</option>
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84 <option value="RotatableBondCount">RotatableBondCount</option>
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85 <option value="HeavyAtomCount">HeavyAtomCount</option>
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86 <option value="IsotopeAtomCount">IsotopeAtomCount</option>
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87 <option value="AtomStereoCount">AomStereoCount</option>
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88 <option value="DefinedAtomStereoCount">DefinedAtomStereoCount</option>
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89 <option value="UndefinedAtomStereoCount">UndefinedAtomStereoCount</option>
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90 <option value="BondStereoCount">BondStereoCount</option>
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91 <option value="DefinedBondStereoCount">DefinedBondStereoCount</option>
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92 <option value="UndefinedBondStereoCount">UndefinedBondStereoCount</option>
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93 <option value="CovalentUnitCount">CovalentUnitCount</option>
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94 <option value="Volume3D">lume3D</option>
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95 <option value="XStericQuadrupole3D">XStericQuadrupole3D</option>
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96 <option value="YStericQuadrupole3D">YStericQuadrupole3D</option>
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97 <option value="ZStericQuadrupole3D">ZStericQuadrupole3D</option>
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98 <option value="FeatureCount3D">FeatureCount3D</option>
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99 <option value="FeatureAcceptorCount3D">FeatureAcceptorCount3D</option>
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100 <option value="FeatureDonorCount3D">FeatureDonorCount3D</option>
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101 <option value="FeatureAnionCount3D">FeatureAnionCount3D</option>
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102 <option value="FeatureCationCount3D">FeatureCationCount3D</option>
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103 <option value="FeatureRingCount3D">FeatureRingCount3D</option>
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104 <option value="FeatureHydrophobeCount3D">FeatureHydrophobeCount3D</option>
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105 <option value="ConformerModelRMSD3D">ConformerModelRMSD3D</option>
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106 <option value="EffectiveRotorCount3D">EffectiveRotorCount3D</option>
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107 <option value="ConformerCount3D">ConformerCount3D</option>
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108 </param>
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109 </xml>
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110 <xml name="xref_select">
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111 <param name="xref_compound_select" label="Choose Xrefs" multiple="true" type="select">
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112 <expand macro="xref_options" />
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113 </param>
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114 </xml>
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115
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116 <xml name="xref_options">
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117 <option value="RegistryID">external registry identifier</option>
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118 <option value="RN">registry number</option>
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119 <option value="PubMedID">NCBI PubMed identifier</option>
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120 <option value="MMDBID">NCBI MMDB identifier</option>
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121 <option value="DBURL">external database home page URL</option>
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122 <option value="SBURL">external database substance URL</option>
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123 <option value="ProteinGI">NCBI protein GI</option>
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124 <option value="NucleotideGI">NCBI nucleotide GI</option>
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125 <option value="TaxonomyID">NCBI taxonomy identifier</option>
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126 <option value="MIMID NCBI">MIM identifier</option>
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127 <option value="GeneID NCBI">gene identifier</option>
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128 <option value="ProbeID NCBI">probe identifier</option>
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129 <option value="PatentID">patent identifier</option>
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130 <option value="SourceName">external depositor name</option>
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131 <option value="SourceCategory">depositor category(ies)</option>
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132 </xml>
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133 <xml name="field_or_file">
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134 <conditional name="field_or_file">
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135 <param name="field_or_file_select" multiple="false" type="select" label="Specify Identifiers by">
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136 <option value="field">Textfield</option>
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137 <option value="file">File</option>
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138 </param>
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139 <when value="field">
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140 <param format="txt" name="id_value" type="text" area="true" size="10x40" label="Enter the Identifiers (one per line)" />
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141 </when>
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142 <when value="file">
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143 <param format="txt,csv" name="id_value" type="data" label="Select file" />
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144 </when>
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145 </conditional>
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6
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146 </xml>
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8
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147 <xml name="conditional_operation_compound">
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148 <conditional name="operation_compound">
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149 <param name="operation_compound_select" type="select" multiple="false" label="Operation">
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150 <expand macro="aid_cid_sid" />
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151 <expand macro="option_compound_substance" />
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152 <option value="property">Property</option>
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153 </param>
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154 <when value="property">
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155 <expand macro="compound_properties" />
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156 </when>
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157 <when value="xrefs">
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158 <param name="xref_operation" label="Choose Xrefs" multiple="true" type="select">
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8
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159 <expand macro="xref_options" />
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160 </param>
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161 </when>
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162 <when value="aids">
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163 <param name="ids_type_compound" multiple="false" type="select" label="AID Type">
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164 <expand macro="aids_when_options" />
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165 </param>
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166 </when>
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167 <when value="sids">
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168 <param name="ids_type_compound" multiple="false" type="select" label="SID Type">
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169 <expand macro="cid_sid_type_options" />
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170 </param>
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171 </when>
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172 <when value="cids">
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173 <param name="ids_type_compound" multiple="false" type="select" label="CID Type">
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174 <expand macro="cid_cid_type_options" />
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175 </param>
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176 </when>
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177 </conditional>
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178 </xml>
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179 <xml name="conditional_operation_assay">
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180 <conditional name="operation_assay">
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181 <param name="operation_assay_select" type="select" multiple="false" label="Operation">
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182 <expand macro="aid_cid_sid" />
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183 <option value="record">Record</option>
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184 <option value="classification">Classification</option>
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185 <option value="xrefs">Xrefs</option>
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186 <option value="description">Discription</option>
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187 <option value="doseresponse">Doseresponse</option>
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8
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188 <option value="summary">Summary</option>
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189 <option value="targets">Targets</option>
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190 </param>
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191 <when value="xrefs">
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192 <param name="xref_operation" label="Choose Xrefs" multiple="true" type="select">
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193 <expand macro="xref_options" />
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194 </param>
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195 </when>
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196 <when value="doseresponse">
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197 <param name="doseresponse_sids" label="Filter by SIDs (comma separated)" type="text" />
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198 </when>
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199
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200 <when value="targets">
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201 <param name="target_assay" label="Specify Target" type="select" multiple="true">
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202 <option value="ProteinGI">NCBI GI of a protein sequence</option>
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203 <option value="ProteinName">Protein Name</option>
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204 <option value="GeneID">NCBI Gene database identifier</option>
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205 <option value="GeneSymbol">Gene Symbol</option>
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206 </param>
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207 </when>
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208 <when value="aids">
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209 <param name="ids_type_assay" multiple="false" type="select" label="AID Type">
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210 <expand macro="aids_when_options" />
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211 </param>
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212 </when>
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213 <when value="cids">
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214 <param name="ids_type_assay" multiple="false" type="select" label="CID Type">
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215 <expand macro="aids_when_options" />
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216
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217 </param>
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218 </when>
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219 <when value="sids">
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220 <param name="ids_type_assay" multiple="false" type="select" label="SID Type">
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221 <expand macro="aids_when_options" />
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222 <option value="doseresponse">doseresponse</option>
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223 </param>
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224 </when>
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225 </conditional>
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226 </xml>
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227 <xml name="conditional_operation_substance">
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228 <conditional name="operation_substance">
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229 <param name="operation_substance_select" type="select" multiple="false" label="Operation">
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230 <expand macro="aid_cid_sid" />
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231 <expand macro="option_compound_substance" />
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232 </param>
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233
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234 <when value="xrefs">
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235 <param name="xref_operation" label="Choose Xrefs" multiple="true" type="select">
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236 <expand macro="xref_options" />
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237 </param>
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238 </when>
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239 <when value="aids">
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240 <param name="ids_type_substance" multiple="false" type="select" label="AID Type">
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241 <expand macro="aids_when_options" />
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242 </param>
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243 </when>
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244 <when value="cids">
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245 <param name="ids_type_substance" multiple="false" type="select" label="CID Type">
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246 <expand macro="sid_cid_type_options" />
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247 </param>
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248 </when>
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249 <when value="sids">
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250 <param name="ids_type_substance" multiple="false" type="select" label="SID Type">
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251 <expand macro="sid_sid_type_options" />
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252 </param>
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253 </when>
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254
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255 </conditional>
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256 </xml>
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6
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257 </macros>
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