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update csv_file feature

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rdk
2020-11-17 02:44:06 +01:00
parent 86db2923a2
commit 8e62c0ca59
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breaking-changes.md
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@@ -17,14 +17,29 @@ All changes of that type should be rare and should be all listed here.
#### 2.3-dev.x
##### Prediction
##### Training new models
* parameter `-extra_features` was renamed to `-features`
* command line format of values of parameters with type `List<String>` and `List<List<String>>` has changed
* command line format of parameters values with type `List<String>` and `List<List<String>>` has changed
* now only comas `,` are delimeters and inner parentheses are respected
* before `.` was used as an alternative delimeter and delimeter for inner lists, now it is part of element value
* Examples:
* `'(a.b.c)'` was interpreted as list of 3 elements, now it defines list of 1 element: `a.b.c`
* list of lists value `'((a.b.c),(d.e))'` should be changed to `'((a,b,c),(d,e))'`
* Changes in `csv_file_feature`
* renamed to `csv`
* introduced parameter `-feat_csv_columns` (type: `List<String>`).
Names of enabled value columns from csv files must be listed here.
Columns not listed are ignored.
* introduced parameter `-feat_csv_ignore_missing` (type: `boolean`, default: `false`). If true, then feature ignores:
* missing csv files for proteins
* missing value columns
* missing rows for atoms or residues
#### 2.2