コード例 #1
0
    def addMolsStatement(self, molsLine):
        molsLine = self.PreProcessStatement(molsLine)

        self.molsBlock.append(molsLine)
        self.molsSection = MolsSection(molsBlock)

        return
コード例 #2
0
    def addMolsBlock(self, molsBlock):
        if self.molsBlock and not overwrite:
            raise MzrExceptions.MoleculizerException(
                "Error: Cannot add a mols block twice.")

        if not self.BlockPassesSanityCheck(molsBlock):
            raise InsaneBlockOnTheLooseException(molsBlock, "mols block")

        self.molsBlock = molsBlock[:]
        self.molsSection = MolsSection(molsBlock)