cheminee 0.1.19 → 0.1.21
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- checksums.yaml +4 -4
- data/Gemfile.lock +9 -9
- data/README.md +5 -5
- data/cheminee.gemspec +1 -1
- data/docs/DefaultApi.md +3 -1
- data/docs/QuerySearchHit.md +1 -1
- data/docs/StructureSearchHit.md +1 -1
- data/lib/cheminee/api/default_api.rb +4 -1
- data/lib/cheminee/api_client.rb +3 -3
- data/lib/cheminee/api_error.rb +1 -1
- data/lib/cheminee/configuration.rb +11 -1
- data/lib/cheminee/models/bulk_request.rb +1 -1
- data/lib/cheminee/models/bulk_request_doc.rb +1 -1
- data/lib/cheminee/models/converted_smiles.rb +1 -1
- data/lib/cheminee/models/create_index_error.rb +1 -1
- data/lib/cheminee/models/get_indexes_response_error.rb +1 -1
- data/lib/cheminee/models/index_meta.rb +1 -1
- data/lib/cheminee/models/index_schema.rb +1 -1
- data/lib/cheminee/models/list_index_response_err.rb +1 -1
- data/lib/cheminee/models/mol_block.rb +1 -1
- data/lib/cheminee/models/post_index_bulk_response_error.rb +1 -1
- data/lib/cheminee/models/post_index_bulk_response_ok.rb +1 -1
- data/lib/cheminee/models/post_index_bulk_response_ok_status.rb +1 -1
- data/lib/cheminee/models/query_response_error.rb +1 -1
- data/lib/cheminee/models/query_search_hit.rb +7 -3
- data/lib/cheminee/models/schema.rb +1 -1
- data/lib/cheminee/models/smiles.rb +1 -1
- data/lib/cheminee/models/standardized_smiles.rb +1 -1
- data/lib/cheminee/models/structure_response_error.rb +1 -1
- data/lib/cheminee/models/structure_search_hit.rb +7 -3
- data/lib/cheminee/version.rb +2 -2
- data/lib/cheminee.rb +1 -1
- data/pkg/cheminee-0.1.21.gem +0 -0
- data/spec/spec_helper.rb +1 -1
- metadata +17 -17
- data/pkg/cheminee-0.1.19.gem +0 -0
checksums.yaml
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metadata.gz: 94540570dc590389820fe841bb3d558f78e6c9af38b3e7cf0fce6ff15feb4341
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data.tar.gz: dcca2f608d6482fd53e0a6945033027c0c45e6aecb8a39b7e560080abe7d5be0
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metadata.gz: 89a4957b0f810d2013e6b99d07ccf8b9325b829490c3ea9abafc1017e315e89848c5acb8dde935e764200ea50f30e6f5f10f3420f2d583b94aa1ea217d059b6b
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data.tar.gz: 960a8638b55c76baa9396a1e1d01d1f88f51a34c1460131ba4178d4a13249fff4bd565397f0cb51cde2fab7dd4f819de1b115e5d621d9c8f947a134c4cdd81a7
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data/Gemfile.lock
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PATH
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remote: .
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specs:
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cheminee (0.1.
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cheminee (0.1.21)
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typhoeus (~> 1.0, >= 1.0.1)
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GEM
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ffi (>= 1.15.0)
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ffi (1.
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ffi (1.17.0-x86_64-linux-gnu)
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jaro_winkler (1.5.6)
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method_source (1.
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parallel (1.
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parser (3.3.0
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method_source (1.1.0)
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parallel (1.25.1)
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parser (3.3.3.0)
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ast (~> 2.4.1)
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racc
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pry (0.14.2)
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pry (>= 0.13, < 0.15)
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psych (5.1.2)
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stringio
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rainbow (3.1.1)
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rake (13.0.6)
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rspec (3.13.0)
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rspec-core (3.13.0)
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ruby-progressbar (1.13.0)
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stringio (3.1.
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data/README.md
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This SDK is automatically generated by the [OpenAPI Generator](https://openapi-generator.tech) project:
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- API version: 1.0
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- Package version: 0.1.
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- Generator version: 7.
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- Package version: 0.1.21
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- Generator version: 7.8.0-SNAPSHOT
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- Build package: org.openapitools.codegen.languages.RubyClientCodegen
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For more information, please visit [https://github.com/rdkit-rs/cheminee](https://github.com/rdkit-rs/cheminee)
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@@ -25,16 +25,16 @@ gem build cheminee.gemspec
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Then either install the gem locally:
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```shell
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gem install ./cheminee-0.1.
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gem install ./cheminee-0.1.21.gem
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```
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(for development, run `gem install --dev ./cheminee-0.1.
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(for development, run `gem install --dev ./cheminee-0.1.21.gem` to install the development dependencies)
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or publish the gem to a gem hosting service, e.g. [RubyGems](https://rubygems.org/).
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Finally add this to the Gemfile:
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gem 'cheminee', '~> 0.1.
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gem 'cheminee', '~> 0.1.21'
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### Install from Git
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data/cheminee.gemspec
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data/docs/DefaultApi.md
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opts = {
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result_limit: 56, # Integer |
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tautomer_limit: 56, # Integer |
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extra_query: 'extra_query_example' # String |
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extra_query: 'extra_query_example', # String |
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use_scaffolds: 'use_scaffolds_example' # String |
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}
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begin
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| **result_limit** | **Integer** | | [optional] |
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| **tautomer_limit** | **Integer** | | [optional] |
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| **extra_query** | **String** | | [optional] |
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| **use_scaffolds** | **String** | | [optional] |
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### Return type
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data/docs/QuerySearchHit.md
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data/docs/StructureSearchHit.md
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=end
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# @option opts [Integer] :result_limit
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# @option opts [Integer] :tautomer_limit
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# @return [Array<StructureSearchHit>]
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def v1_indexes_index_search_substructure_get(index, smiles, opts = {})
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data, _status_code, _headers = v1_indexes_index_search_substructure_get_with_http_info(index, smiles, opts)
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if @api_client.config.debugging
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query_params[:'result_limit'] = opts[:'result_limit'] if !opts[:'result_limit'].nil?
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data/lib/cheminee/api_client.rb
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=end
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end
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=end
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{
|
|
47
|
-
:'extra_data' => :'
|
|
47
|
+
:'extra_data' => :'String',
|
|
48
48
|
:'smiles' => :'String',
|
|
49
49
|
:'score' => :'Float',
|
|
50
50
|
:'query' => :'String',
|
|
@@ -55,7 +55,6 @@ module Cheminee
|
|
|
55
55
|
# List of attributes with nullable: true
|
|
56
56
|
def self.openapi_nullable
|
|
57
57
|
Set.new([
|
|
58
|
-
:'extra_data',
|
|
59
58
|
])
|
|
60
59
|
end
|
|
61
60
|
|
|
@@ -110,6 +109,10 @@ module Cheminee
|
|
|
110
109
|
def list_invalid_properties
|
|
111
110
|
warn '[DEPRECATED] the `list_invalid_properties` method is obsolete'
|
|
112
111
|
invalid_properties = Array.new
|
|
112
|
+
if @extra_data.nil?
|
|
113
|
+
invalid_properties.push('invalid value for "extra_data", extra_data cannot be nil.')
|
|
114
|
+
end
|
|
115
|
+
|
|
113
116
|
if @smiles.nil?
|
|
114
117
|
invalid_properties.push('invalid value for "smiles", smiles cannot be nil.')
|
|
115
118
|
end
|
|
@@ -133,6 +136,7 @@ module Cheminee
|
|
|
133
136
|
# @return true if the model is valid
|
|
134
137
|
def valid?
|
|
135
138
|
warn '[DEPRECATED] the `valid?` method is obsolete'
|
|
139
|
+
return false if @extra_data.nil?
|
|
136
140
|
return false if @smiles.nil?
|
|
137
141
|
return false if @score.nil?
|
|
138
142
|
return false if @query.nil?
|
data/lib/cheminee/version.rb
CHANGED
data/lib/cheminee.rb
CHANGED
|
Binary file
|
data/spec/spec_helper.rb
CHANGED
metadata
CHANGED
|
@@ -1,14 +1,14 @@
|
|
|
1
1
|
--- !ruby/object:Gem::Specification
|
|
2
2
|
name: cheminee
|
|
3
3
|
version: !ruby/object:Gem::Version
|
|
4
|
-
version: 0.1.
|
|
4
|
+
version: 0.1.21
|
|
5
5
|
platform: ruby
|
|
6
6
|
authors:
|
|
7
7
|
- Xavier Lange
|
|
8
8
|
autorequire:
|
|
9
9
|
bindir: bin
|
|
10
10
|
cert_chain: []
|
|
11
|
-
date: 2024-
|
|
11
|
+
date: 2024-07-08 00:00:00.000000000 Z
|
|
12
12
|
dependencies:
|
|
13
13
|
- !ruby/object:Gem::Dependency
|
|
14
14
|
name: typhoeus
|
|
@@ -116,7 +116,7 @@ files:
|
|
|
116
116
|
- lib/cheminee/version.rb
|
|
117
117
|
- openapi-generator-config.json
|
|
118
118
|
- openapi.json
|
|
119
|
-
- pkg/cheminee-0.1.
|
|
119
|
+
- pkg/cheminee-0.1.21.gem
|
|
120
120
|
- spec/api/default_api_spec.rb
|
|
121
121
|
- spec/api_client_spec.rb
|
|
122
122
|
- spec/configuration_spec.rb
|
|
@@ -170,26 +170,26 @@ test_files:
|
|
|
170
170
|
- spec/api/default_api_spec.rb
|
|
171
171
|
- spec/api_client_spec.rb
|
|
172
172
|
- spec/configuration_spec.rb
|
|
173
|
+
- spec/models/bulk_request_spec.rb
|
|
174
|
+
- spec/models/query_search_hit_spec.rb
|
|
175
|
+
- spec/models/index_schema_spec.rb
|
|
176
|
+
- spec/models/index_meta_spec.rb
|
|
177
|
+
- spec/models/post_index_bulk_response_ok_status_spec.rb
|
|
178
|
+
- spec/models/get_indexes_response_error_spec.rb
|
|
173
179
|
- spec/models/post_index_bulk_response_ok_spec.rb
|
|
180
|
+
- spec/models/query_response_error_spec.rb
|
|
174
181
|
- spec/models/post_index_bulk_response_error_spec.rb
|
|
182
|
+
- spec/models/smiles_spec.rb
|
|
175
183
|
- spec/models/standardized_smile_spec.rb
|
|
176
|
-
- spec/models/
|
|
177
|
-
- spec/models/structure_response_error_spec.rb
|
|
184
|
+
- spec/models/bulk_request_doc_spec.rb
|
|
178
185
|
- spec/models/converted_smiles_spec.rb
|
|
179
|
-
- spec/models/
|
|
180
|
-
- spec/models/
|
|
181
|
-
- spec/models/
|
|
182
|
-
- spec/models/
|
|
183
|
-
- spec/models/query_response_error_spec.rb
|
|
186
|
+
- spec/models/standardized_smiles_spec.rb
|
|
187
|
+
- spec/models/schema_spec.rb
|
|
188
|
+
- spec/models/smile_spec.rb
|
|
189
|
+
- spec/models/create_index_error_spec.rb
|
|
184
190
|
- spec/models/substructure_search_hit_spec.rb
|
|
185
191
|
- spec/models/mol_block_spec.rb
|
|
186
|
-
- spec/models/bulk_request_doc_spec.rb
|
|
187
|
-
- spec/models/post_index_bulk_response_ok_status_spec.rb
|
|
188
|
-
- spec/models/smiles_spec.rb
|
|
189
|
-
- spec/models/schema_spec.rb
|
|
190
192
|
- spec/models/structure_search_hit_spec.rb
|
|
191
|
-
- spec/models/
|
|
193
|
+
- spec/models/structure_response_error_spec.rb
|
|
192
194
|
- spec/models/list_index_response_err_spec.rb
|
|
193
|
-
- spec/models/index_meta_spec.rb
|
|
194
|
-
- spec/models/create_index_error_spec.rb
|
|
195
195
|
- spec/spec_helper.rb
|
data/pkg/cheminee-0.1.19.gem
DELETED
|
Binary file
|