OBConversion¶
OBConversion |
Documentation¶
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class
OBConversion¶ -
AddChemObject(self: pyOBabel.pyOBabel.OBConversion, arg0: pyOBabel.pyOBabel.OBBase) → int¶
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AddOption(self: pyOBabel.pyOBabel.OBConversion, opt: str, opttyp: pyOBabel.pyOBabel.OBConversion.Option_type=Option_type.OUTOPTIONS, txt: str=0) → None¶
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CloseOutFile(self: pyOBabel.pyOBabel.OBConversion) → None¶
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Convert(self: pyOBabel.pyOBabel.OBConversion) → int¶
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FullConvert(self: pyOBabel.pyOBabel.OBConversion, arg0: List[str], arg1: str, arg2: List[str]) → int¶
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GetChemObject(self: pyOBabel.pyOBabel.OBConversion) → pyOBabel.pyOBabel.OBBase¶
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GetCount(self: pyOBabel.pyOBabel.OBConversion) → int¶
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GetOptions(self: pyOBabel.pyOBabel.OBConversion, arg0: pyOBabel.pyOBabel.OBConversion.Option_type) → Dict[str, str]¶
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GetOutputIndex(self: pyOBabel.pyOBabel.OBConversion) → int¶
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GetSupportedInputFormat(self: pyOBabel.pyOBabel.OBConversion) → List[str]¶
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GetSupportedOutputFormat(self: pyOBabel.pyOBabel.OBConversion) → List[str]¶
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IsFirstInput(self: pyOBabel.pyOBabel.OBConversion) → bool¶
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IsLast(self: pyOBabel.pyOBabel.OBConversion) → bool¶
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IsLastFile(self: pyOBabel.pyOBabel.OBConversion) → bool¶
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IsOption(self: pyOBabel.pyOBabel.OBConversion, opt: str, opttyp: pyOBabel.pyOBabel.OBConversion.Option_type=Option_type.OUTOPTIONS) → str¶
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OpenInAndOutFiles(self: pyOBabel.pyOBabel.OBConversion, arg0: str, arg1: str) → bool¶
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Read(self: pyOBabel.pyOBabel.OBConversion, arg0: pyOBabel.pyOBabel.OBBase) → bool¶
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ReadFile(self: pyOBabel.pyOBabel.OBConversion, arg0: pyOBabel.pyOBabel.OBBase, arg1: str) → bool¶
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ReadString(self: pyOBabel.pyOBabel.OBConversion, arg0: pyOBabel.pyOBabel.OBBase, arg1: str) → bool¶
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RemoveOption(self: pyOBabel.pyOBabel.OBConversion, arg0: str, arg1: pyOBabel.pyOBabel.OBConversion.Option_type) → bool¶
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SetFirstInput(self: pyOBabel.pyOBabel.OBConversion, arg0: bool) → None¶
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SetInAndOutFormats(self: pyOBabel.pyOBabel.OBConversion, inID: str, outID: str, ingzip: bool=False, outgzip: bool=False) → None¶
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SetInFormat(self: pyOBabel.pyOBabel.OBConversion, inID: str, isgzip: bool=False) → bool¶
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SetLast(self: pyOBabel.pyOBabel.OBConversion, arg0: bool) → None¶
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SetMoreFilesToCome(self: pyOBabel.pyOBabel.OBConversion) → None¶
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SetOneObjectOnly(self: pyOBabel.pyOBabel.OBConversion, arg0: bool) → None¶
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SetOptions(self: pyOBabel.pyOBabel.OBConversion, arg0: str, arg1: pyOBabel.pyOBabel.OBConversion.Option_type) → None¶
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SetOutFormat(self: pyOBabel.pyOBabel.OBConversion, inID: str, isgzip: bool=False) → bool¶
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SetOutputIndex(self: pyOBabel.pyOBabel.OBConversion, arg0: int) → None¶
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Write(self: pyOBabel.pyOBabel.OBConversion, arg0: pyOBabel.pyOBabel.OBBase) → bool¶
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WriteFile(self: pyOBabel.pyOBabel.OBConversion, arg0: pyOBabel.pyOBabel.OBBase, arg1: str) → bool¶
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WriteString(self: pyOBabel.pyOBabel.OBConversion, obmol: pyOBabel.pyOBabel.OBBase, trimWhitespace: bool=False) → str¶
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