cheminee 0.0.14
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- checksums.yaml +7 -0
- data/Gemfile +9 -0
- data/Gemfile.lock +72 -0
- data/README.md +112 -0
- data/Rakefile +10 -0
- data/cheminee.gemspec +39 -0
- data/docs/BulkRequest.md +18 -0
- data/docs/BulkRequestDoc.md +20 -0
- data/docs/CreateIndexError.md +18 -0
- data/docs/DefaultApi.md +529 -0
- data/docs/GetIndexesResponseError.md +18 -0
- data/docs/IndexMeta.md +20 -0
- data/docs/IndexSchema.md +20 -0
- data/docs/ListIndexResponseErr.md +18 -0
- data/docs/PostIndexBulkResponseError.md +18 -0
- data/docs/PostIndexBulkResponseOk.md +18 -0
- data/docs/PostIndexBulkResponseOkStatus.md +20 -0
- data/docs/QueryResponseError.md +18 -0
- data/docs/QuerySearchHit.md +22 -0
- data/docs/Schema.md +20 -0
- data/docs/Smile.md +18 -0
- data/docs/Smiles.md +18 -0
- data/docs/StandardizedSmile.md +20 -0
- data/docs/StandardizedSmiles.md +20 -0
- data/docs/StructureResponseError.md +18 -0
- data/docs/StructureSearchHit.md +26 -0
- data/docs/SubstructureSearchHit.md +24 -0
- data/git_push.sh +57 -0
- data/lib/cheminee/api/default_api.rb +550 -0
- data/lib/cheminee/api_client.rb +393 -0
- data/lib/cheminee/api_error.rb +58 -0
- data/lib/cheminee/configuration.rb +291 -0
- data/lib/cheminee/models/bulk_request.rb +223 -0
- data/lib/cheminee/models/bulk_request_doc.rb +232 -0
- data/lib/cheminee/models/create_index_error.rb +221 -0
- data/lib/cheminee/models/get_indexes_response_error.rb +221 -0
- data/lib/cheminee/models/index_meta.rb +237 -0
- data/lib/cheminee/models/index_schema.rb +233 -0
- data/lib/cheminee/models/list_index_response_err.rb +221 -0
- data/lib/cheminee/models/post_index_bulk_response_error.rb +221 -0
- data/lib/cheminee/models/post_index_bulk_response_ok.rb +223 -0
- data/lib/cheminee/models/post_index_bulk_response_ok_status.rb +223 -0
- data/lib/cheminee/models/query_response_error.rb +221 -0
- data/lib/cheminee/models/query_search_hit.rb +249 -0
- data/lib/cheminee/models/schema.rb +233 -0
- data/lib/cheminee/models/smile.rb +221 -0
- data/lib/cheminee/models/smiles.rb +221 -0
- data/lib/cheminee/models/standardized_smile.rb +223 -0
- data/lib/cheminee/models/standardized_smiles.rb +223 -0
- data/lib/cheminee/models/structure_response_error.rb +221 -0
- data/lib/cheminee/models/structure_search_hit.rb +281 -0
- data/lib/cheminee/models/substructure_search_hit.rb +265 -0
- data/lib/cheminee/version.rb +15 -0
- data/lib/cheminee.rb +57 -0
- data/openapi-generator-config.json +7 -0
- data/openapi.json +77 -0
- data/pkg/cheminee-0.0.14.gem +0 -0
- data/spec/api/default_api_spec.rb +45 -0
- data/spec/api_client_spec.rb +228 -0
- data/spec/configuration_spec.rb +42 -0
- data/spec/models/bulk_request_doc_spec.rb +42 -0
- data/spec/models/bulk_request_spec.rb +36 -0
- data/spec/models/create_index_error_spec.rb +36 -0
- data/spec/models/get_indexes_response_error_spec.rb +36 -0
- data/spec/models/index_meta_spec.rb +42 -0
- data/spec/models/index_schema_spec.rb +42 -0
- data/spec/models/list_index_response_err_spec.rb +36 -0
- data/spec/models/post_index_bulk_response_error_spec.rb +36 -0
- data/spec/models/post_index_bulk_response_ok_spec.rb +36 -0
- data/spec/models/post_index_bulk_response_ok_status_spec.rb +42 -0
- data/spec/models/query_response_error_spec.rb +36 -0
- data/spec/models/query_search_hit_spec.rb +48 -0
- data/spec/models/schema_spec.rb +42 -0
- data/spec/models/smile_spec.rb +34 -0
- data/spec/models/smiles_spec.rb +36 -0
- data/spec/models/standardized_smile_spec.rb +40 -0
- data/spec/models/standardized_smiles_spec.rb +42 -0
- data/spec/models/structure_response_error_spec.rb +36 -0
- data/spec/models/structure_search_hit_spec.rb +60 -0
- data/spec/models/substructure_search_hit_spec.rb +54 -0
- data/spec/spec_helper.rb +111 -0
- metadata +187 -0
data/docs/Schema.md
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# Cheminee::Schema
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## Properties
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **name** | **String** | | |
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| **schema** | **Object** | | |
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## Example
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```ruby
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require 'cheminee'
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instance = Cheminee::Schema.new(
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name: null,
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schema: null
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)
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```
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data/docs/Smile.md
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# Cheminee::Smile
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## Properties
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **smile** | **String** | | |
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## Example
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```ruby
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require 'cheminee'
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instance = Cheminee::Smile.new(
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smile: null
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)
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```
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data/docs/Smiles.md
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# Cheminee::Smiles
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## Properties
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **smiles** | **String** | | |
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## Example
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```ruby
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require 'cheminee'
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instance = Cheminee::Smiles.new(
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smiles: null
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)
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```
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# Cheminee::StandardizedSmile
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## Properties
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **smile** | **String** | | [optional] |
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| **error** | **String** | | [optional] |
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## Example
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```ruby
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require 'cheminee'
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instance = Cheminee::StandardizedSmile.new(
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smile: null,
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error: null
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)
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```
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# Cheminee::StandardizedSmiles
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## Properties
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **smiles** | **String** | | [optional] |
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| **error** | **String** | | [optional] |
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## Example
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```ruby
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require 'cheminee'
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instance = Cheminee::StandardizedSmiles.new(
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smiles: null,
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error: null
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)
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```
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# Cheminee::StructureResponseError
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## Properties
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **error** | **String** | | |
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## Example
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```ruby
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require 'cheminee'
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instance = Cheminee::StructureResponseError.new(
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error: null
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)
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```
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# Cheminee::StructureSearchHit
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## Properties
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
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| **extra_data** | **Object** | | |
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| **smiles** | **String** | | |
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| **score** | **Float** | | |
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| **query** | **String** | | |
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| **used_tautomers** | **Boolean** | | |
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## Example
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```ruby
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require 'cheminee'
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instance = Cheminee::StructureSearchHit.new(
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extra_data: null,
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smiles: null,
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score: null,
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query: null,
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used_tautomers: null
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)
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```
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# Cheminee::SubstructureSearchHit
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## Properties
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| Name | Type | Description | Notes |
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| ---- | ---- | ----------- | ----- |
|
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| **extra_data** | **Object** | | |
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| **smiles** | **String** | | |
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| **score** | **Float** | | |
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| **query** | **String** | | |
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## Example
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```ruby
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require 'cheminee'
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instance = Cheminee::SubstructureSearchHit.new(
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extra_data: null,
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smiles: null,
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score: null,
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query: null
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)
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```
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data/git_push.sh
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#!/bin/sh
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# ref: https://help.github.com/articles/adding-an-existing-project-to-github-using-the-command-line/
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#
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# Usage example: /bin/sh ./git_push.sh wing328 openapi-petstore-perl "minor update" "gitlab.com"
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git_user_id=$1
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git_repo_id=$2
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release_note=$3
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git_host=$4
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if [ "$git_host" = "" ]; then
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git_host="github.com"
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echo "[INFO] No command line input provided. Set \$git_host to $git_host"
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fi
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if [ "$git_user_id" = "" ]; then
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git_user_id="GIT_USER_ID"
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echo "[INFO] No command line input provided. Set \$git_user_id to $git_user_id"
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fi
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if [ "$git_repo_id" = "" ]; then
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git_repo_id="GIT_REPO_ID"
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echo "[INFO] No command line input provided. Set \$git_repo_id to $git_repo_id"
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fi
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if [ "$release_note" = "" ]; then
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release_note="Minor update"
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echo "[INFO] No command line input provided. Set \$release_note to $release_note"
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fi
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# Initialize the local directory as a Git repository
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git init
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# Adds the files in the local repository and stages them for commit.
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git add .
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# Commits the tracked changes and prepares them to be pushed to a remote repository.
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git commit -m "$release_note"
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# Sets the new remote
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git_remote=$(git remote)
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if [ "$git_remote" = "" ]; then # git remote not defined
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if [ "$GIT_TOKEN" = "" ]; then
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echo "[INFO] \$GIT_TOKEN (environment variable) is not set. Using the git credential in your environment."
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git remote add origin https://${git_host}/${git_user_id}/${git_repo_id}.git
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else
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git remote add origin https://${git_user_id}:"${GIT_TOKEN}"@${git_host}/${git_user_id}/${git_repo_id}.git
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fi
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fi
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git pull origin master
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# Pushes (Forces) the changes in the local repository up to the remote repository
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echo "Git pushing to https://${git_host}/${git_user_id}/${git_repo_id}.git"
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git push origin master 2>&1 | grep -v 'To https'
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