SCHWED-4368: Extend MMCifInfo to handle revision version numbers.

modules/io/doc/mmcif.rst

@@ -281,7 +281,7 @@ of the annotation available.
     :type cif_chain_id: :class:`str`
     :returns: atom_site.label_entity_id as :class:`str` (empty if no mapping)
 
-  .. method:: AddRevision(num, date, status)
+  .. method:: AddRevision(num, date, status, major=-1, minor=-1)
 
     Add a new iteration to the revision history.
     See :meth:`MMCifInfoRevisions.AddRevision`.
@@ -1089,7 +1089,7 @@ of the annotation available.
 
     :type: :class:`int`
 
-  .. method:: AddRevision(num, date, status)
+  .. method:: AddRevision(num, date, status, major=-1, minor=-1)
 
     Add a new iteration to the history.
 
@@ -1099,6 +1099,10 @@ of the annotation available.
     :type date:  :class:`str`
     :param status: See :meth:`GetStatus`
     :type status:  :class:`str`
+    :param major: See :meth:`GetMajor`
+    :type major:  :class:`int`
+    :param minor: See :meth:`GetMinor`
+    :type minor:  :class:`int`
 
     :raises: Exception if *num* is <= the last added iteration.
 
@@ -1131,11 +1135,37 @@ of the annotation available.
     :rtype:  :class:`str`
     :raises: Exception if *i* out of bounds.
 
+  .. method:: GetMajor(i)
+
+    :param i: Index of revision
+    :type i: :class:`int`
+    :return: The major version of this revision (-1 if not set).
+    :rtype:  :class:`int`
+    :raises: Exception if *i* out of bounds.
+
+  .. method:: GetMinor(i)
+
+    :param i: Index of revision
+    :type i: :class:`int`
+    :return: The minor version of this revision (-1 if not set).
+    :rtype:  :class:`int`
+    :raises: Exception if *i* out of bounds.
+
   .. method:: GetLastDate()
 
     :return: Date of the latest revision ('?' if no revision set).
     :rtype:  :class:`str`
 
+  .. method:: GetLastMajor()
+
+    :return: Major version of the latest revision (-1 if not set).
+    :rtype:  :class:`int`
+
+  .. method:: GetLastMinor()
+
+    :return: Minor version of the latest revision (-1 if not set).
+    :rtype:  :class:`int`
+
   .. method:: SetDateOriginal(date)
               GetDateOriginal()
 

modules/io/src/mol/mmcif_info.hh

@@ -760,28 +760,19 @@ private:
 };
 
 /// \brief Container class for information on file revisions
-/// 
+/// See Python doc
 class DLLEXPORT_OST_IO MMCifInfoRevisions {
 public:
   /// \brief Start recording a revision process.
   MMCifInfoRevisions(): date_original_("?"), first_release_(0) {};
 
-  /// \brief Set date the entry entered PDB.
-  ///
-  /// \param date
+  // original depositon date
   void SetDateOriginal(String date) { date_original_ = date; }
-
-  /// \brief Get date the entry entered PDB.
-  ///
-  /// \return date
   String GetDateOriginal() const { return date_original_; }
 
-  /// \brief Add a revision to history
-  ///
-  /// \param num unique identifier
-  /// \param date date of revision
-  /// \param status status of the revision
-  void AddRevision(int num, String date, String status)
+  // revision history
+  void AddRevision(int num, String date, String status, int major = -1,
+                   int minor = -1)
   {
     if (num_.size() && (num_.back() >= num)) {
       std::stringstream ss;
@@ -792,6 +783,8 @@ public:
     num_.push_back(num);
     date_.push_back(date);
     status_.push_back(status);
+    major_.push_back(major);
+    minor_.push_back(minor);
     // set first release date if not already occupied
     if (first_release_ == 0) {
       if (status == "full release" || status == "Initial release") {
@@ -800,51 +793,39 @@ public:
     }
   }
 
-  /// \brief Get number of revisions stored.
-  ///
-  /// \return number
+  // revision history getters
   size_t GetSize() const { return num_.size(); }
-
-  /// \brief Get revision date by index in list.
-  ///
-  /// \param i position in list
-  /// \return date
   String GetDate(size_t i) const { return date_.at(i); }
-
-  /// \brief Get revision num by index in list.
-  ///
-  /// \param i position in list
-  /// \return num
   int GetNum(size_t i) const { return num_.at(i); }
-
-  /// \brief Get revision status by index in list.
-  ///
-  /// \param i position in list
-  /// \return status
   String GetStatus(size_t i) const { return status_.at(i); }
+  int GetMajor(size_t i) const { return major_.at(i); }
+  int GetMinor(size_t i) const { return minor_.at(i); }
 
-  /// \brief Get date of last revision.
-  ///
-  /// \return date
+  // get info of first and last revision
   String GetLastDate() const {
     if (date_.empty()) return "?";
     else               return date_.back();
   }
-
-  /// \brief Get the index of the full release revision.
-  ///
-  /// \return index
-  size_t GetFirstRelease() const
-  {
+  int GetLastMajor() const {
+    if (major_.empty()) return -1;
+    else                return major_.back();
+  }
+  int GetLastMinor() const {
+    if (minor_.empty()) return -1;
+    else                return minor_.back();
+  }
+  size_t GetFirstRelease() const {
     return first_release_;
   }
 
 private:
   String date_original_;       ///< first time seen in PDB
-  size_t first_release_;          ///< index of full release revision
+  size_t first_release_;       ///< index of full release revision
   std::vector<int> num_;       ///< sequential id of revision (gets larger)
   std::vector<String> date_;   ///< date of revision
   std::vector<String> status_; ///< ststus phrase for this revision
+  std::vector<int> major_;     ///< major version of revision
+  std::vector<int> minor_;     ///< minor version of revision
 };
 
 
@@ -1131,13 +1112,11 @@ public:
   }
 
   /// \brief Add a revision to history
-  ///
-  /// \param num unique identifier
-  /// \param date date of revision
-  /// \param status status of the revision
-  void AddRevision(int num, String date, String status)
+  /// \see MMCifInfoRevisions::AddRevision
+  void AddRevision(int num, String date, String status, int major = -1,
+                   int minor = -1)
   {
-    revisions_.AddRevision(num, date, status);
+    revisions_.AddRevision(num, date, status, major, minor);
   }
 
   /// \brief Get history

modules/io/tests/test_mmcif_info.cc

@@ -243,26 +243,37 @@ BOOST_AUTO_TEST_CASE(mmcif_info_revisions)
   BOOST_CHECK(rev.GetFirstRelease() == 0);
   BOOST_CHECK(rev.GetSize() == 0);
   BOOST_CHECK(rev.GetLastDate() == "?");
+  BOOST_CHECK(rev.GetLastMajor() == -1);
+  BOOST_CHECK(rev.GetLastMinor() == -1);
   BOOST_CHECK_THROW(rev.GetDate(0), std::out_of_range);
   BOOST_CHECK_THROW(rev.GetNum(0), std::out_of_range);
   BOOST_CHECK_THROW(rev.GetStatus(0), std::out_of_range);
 
-  rev.SetDateOriginal("2012-05-04");
+  rev.SetDateOriginal("2012-05-03");
   rev.AddRevision(1, "2012-05-04", "in preparation");
-  rev.AddRevision(2, "2012-05-05", "full release");
+  rev.AddRevision(2, "2012-05-05", "full release", 1, 2);
 
   BOOST_CHECK(rev.GetSize() == 2);
-  BOOST_CHECK(rev.GetDateOriginal() == "2012-05-04");
+  BOOST_CHECK(rev.GetDateOriginal() == "2012-05-03");
   BOOST_CHECK(rev.GetDate(0) == "2012-05-04");
   BOOST_CHECK(rev.GetNum(0) == 1);
   BOOST_CHECK(rev.GetStatus(0) == "in preparation");
+  BOOST_CHECK(rev.GetMajor(0) == -1);
+  BOOST_CHECK(rev.GetMinor(0) == -1);
+  BOOST_CHECK(rev.GetDate(1) == "2012-05-05");
   BOOST_CHECK(rev.GetDate(1) == rev.GetLastDate());
   BOOST_CHECK(rev.GetFirstRelease() == 2);
   BOOST_CHECK(rev.GetNum(1) == 2);
-  BOOST_CHECK(rev.GetStatus(1) == "full release");  
+  BOOST_CHECK(rev.GetStatus(1) == "full release");
+  BOOST_CHECK(rev.GetMajor(1) == 1);
+  BOOST_CHECK(rev.GetMinor(1) == 2);
+  BOOST_CHECK(rev.GetMajor(1) == rev.GetLastMajor());
+  BOOST_CHECK(rev.GetMinor(1) == rev.GetLastMinor());
   BOOST_CHECK_THROW(rev.GetDate(2), std::out_of_range);
   BOOST_CHECK_THROW(rev.GetNum(2), std::out_of_range);
   BOOST_CHECK_THROW(rev.GetStatus(2), std::out_of_range);
+  BOOST_CHECK_THROW(rev.GetMajor(2), std::out_of_range);
+  BOOST_CHECK_THROW(rev.GetMinor(2), std::out_of_range);
 
   BOOST_TEST_MESSAGE("  done.");
 }