message: Ensure inputMoleculeFormat works for workflows
  Not sure if this ever worked for generators, but I validated
  with an SDF exchange to RDKit's ETKDG conformer code.
diff: @@ -31,12 +31,12 @@ using QtGui::PythonScript;
  InterfaceScript::InterfaceScript(const QString& scriptFilePath_,
  QObject* parent_)
  : QObject(parent_), m_interpreter(new PythonScript(scriptFilePath_, this)),
  - m_moleculeExtension(QStringLiteral("cjson"))
  + m_moleculeExtension(QStringLiteral("Unknown"))
  {}
  InterfaceScript::InterfaceScript(QObject* parent_)
  : QObject(parent_), m_interpreter(new PythonScript(this)),
  - m_moleculeExtension(QStringLiteral("cjson"))
  + m_moleculeExtension(QStringLiteral("Unknown"))
  {}
  InterfaceScript::~InterfaceScript() {}
  @@ -75,14 +75,6 @@ QJsonObject InterfaceScript::options() const
  m_options = doc.object();
  - // Check if the generator needs to read a molecule.
  - m_moleculeExtension = QLatin1String("cjson");
  - if (m_options.contains(QStringLiteral("inputMoleculeFormat")) &&
  - m_options[QStringLiteral("inputMoleculeFormat")].isString()) {
  - m_moleculeExtension =
  - m_options[QStringLiteral("inputMoleculeFormat")].toString();
  - }
  -
  if (m_options.contains(QStringLiteral("highlightStyles")) &&
  m_options.value(QStringLiteral("highlightStyles")).isArray()) {
  if (!parseHighlightStyles(
  @@ -92,6 +84,14 @@ QJsonObject InterfaceScript::options() const
  }
  }
  + // Check if the generator needs to read a molecule.
  + m_moleculeExtension = QLatin1String("cjson");
  + if (m_options.contains(QStringLiteral("inputMoleculeFormat")) &&
  + m_options[QStringLiteral("inputMoleculeFormat")].isString()) {
  + m_moleculeExtension =
  + m_options[QStringLiteral("inputMoleculeFormat")].toString();
  + }
  +
  return m_options;
  }
  @@ -175,7 +175,6 @@ bool InterfaceScript::runWorkflow(const QJsonObject& options_,
  QJsonDocument doc;
  if (!parseJson(json, doc)) {
  - qDebug() << " can't parse ";
  return false;
  }
  @@ -236,7 +235,6 @@ bool InterfaceScript::runWorkflow(const QJsonObject& options_,
  }
  if (obj["append"].toBool()) { // just append some new bits
  - qDebug() << " appending " << newMol.atomCount();
  guiMol->undoMolecule()->appendMolecule(newMol, m_displayName);
  } else { // replace the whole molecule
  Molecule::MoleculeChanges changes = (Molecule::Atoms | Molecule::Bonds |
  