diff --git a/modules/io/doc/mmcif.rst b/modules/io/doc/mmcif.rst
index 38934cc7943df2c6d1cec5f40dd43c34485368e6..ccde8f725d0a72e1151d674f5adc16ad1f792068 100644
--- a/modules/io/doc/mmcif.rst
+++ b/modules/io/doc/mmcif.rst
@@ -41,6 +41,7 @@ The following categories of a mmCIF file are considered by the reader:
* ``struct_ref`` stored in :class:`MMCifInfoStructRef`
* ``struct_ref_seq`` stored in :class:`MMCifInfoStructRefSeq`
* ``struct_ref_seq_dif`` stored in :class:`MMCifInfoStructRefDif`
+* ``database_pdb_rev`` stored in :class:`MMCifInfoRevisions`
Info Classes
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
@@ -99,6 +100,14 @@ of the annotation available.
.. attribute:: struct_refs
Lists all links to external databases in the mmCIF file.
+
+ .. attribute:: revisions
+
+ Stores a simple history of a PDB entry.
+
+ Also available as :meth:`GetRevisions`. May be extended by
+ :meth:`AddRevision`.
+
.. method:: AddCitation(citation)
Add a citation to the citation list of an info object.
@@ -196,6 +205,28 @@ of the annotation available.
:type pdb_chain_id: :class:`str`
:returns: atom_site.label_asym_id as :class:`str`
+ .. method:: AddRevision(num, date, status)
+
+ Add a new iteration to the history.
+
+ :param num: database_pdb_rev.num
+ :type num: :class:`int`
+ :param date: database_pdb_rev.date
+ :type date: :class:`str`
+ :param status: database_pdb_rev.status
+ :type status: :class:`str`
+
+ .. method:: GetRevisions()
+
+ See :attr:`revisions`
+
+ .. method:: SetRevisionsDateOriginal(date)
+
+ Set the date, when this entry first entered the PDB.
+
+ :param date: database_pdb_rev.date_original
+ :type date: :class:`str`
+
.. class:: MMCifInfoCitation
This stores citation information from an input file.
@@ -828,7 +859,86 @@ of the annotation available.
:type: :class:`str`
+.. class:: MMCifInfoRevisions
+
+ Revision history of a PDB entry. If you find a '?' somewhere, this means
+ 'not set'.
+
+ .. attribute:: date_original
+
+ The date when this entry was seen in PDB for the very first time. This is
+ not necessarily the release date.
+
+ :type: :class:`str`
+
+ .. attribute:: first_release
+
+ Index of the revision releasing this entry.
+
+ :type: :class:`int`
+
+ .. method:: SetDateOriginal(date)
+
+ Set the date, when this entry first entered the PDB.
+
+ :param date: database_pdb_rev.date_original
+ :type date: :class:`str`
+
+ .. method:: GetDateOriginal()
+
+ Retrieve database_pdb_rev.date_original.
+
+ :returns: database_pdb_rev.date_original as :class:`str` in format
+ 'yyyy-mm-dd'
+
+ .. method:: AddRevision(int num, String date, String status)
+
+ Add a new iteration to the history.
+
+ :param num: database_pdb_rev.num
+ :type num: :class:`int`
+ :param date: database_pdb_rev.date
+ :type date: :class:`str`
+ :param status: database_pdb_rev.status
+ :type status: :class:`str`
+
+ .. method:: GetSize()
+
+ :returns: Number of revisions as :class:`int`
+
+ .. method:: GetDate(i)
+
+ :param i: Index of revision
+ :type i: :class:`int`
+ :returns: database_pdb_rev.date as :class:`str`
+
+ .. method:: GetNum(i)
+
+ :param i: Index of revision
+ :type i: :class:`int`
+ :returns: database_pdb_rev.num as :class:`int`
+
+ .. method:: GetStatus(i)
+
+ :param i: Index of revision
+ :type i: :class:`int`
+ :returns: database_pdb_rev.status as :class:`str`
+
+ .. method:: GetLastDate()
+
+ The date of the latest revision.
+
+ :returns: date as :class:`str`
+
+ .. method:: GetFirstRelease()
+
+ Points to the revision releasing the entry.
+
+ :returns: Index as :class:`int`
+
.. LocalWords: cas isbn pubmed asu seqres conop ConnectAll casp COMPND OBSLTE
.. LocalWords: SPRSDE pdb func autofunction exptl attr pdbx oper conf spr dif
.. LocalWords: biounits biounit uniprot UNP seqs AddMMCifPDBChainTr cif asym
.. LocalWords: auth GetMMCifPDBChainTr AddPDBCMMCifhainTr GetPDBMMCifChainTr
+.. LocalWords: GetRevisions AddRevision SetRevisionsDateOriginal GetSize
+.. LocalWords: GetNum num GetStatus GetLastDate GetFirstRelease
diff --git a/modules/io/pymod/export_mmcif_io.cc b/modules/io/pymod/export_mmcif_io.cc
index f2527066afca1d2d715c97dcc1413276eafa7a6b..78cd7e124f08460009e4f5b98432080e8422ae95 100644
--- a/modules/io/pymod/export_mmcif_io.cc
+++ b/modules/io/pymod/export_mmcif_io.cc
@@ -261,6 +261,21 @@ void export_mmcif_io()
&MMCifInfoObsolete::SetReplacedPDBID)
;
+ class_<MMCifInfoRevisions>("MMCifInfoRevisions", init<>())
+ .def("SetDateOriginal", &MMCifInfoRevisions::SetDateOriginal)
+ .def("GetDateOriginal", &MMCifInfoRevisions::GetDateOriginal)
+ .def("AddRevision", &MMCifInfoRevisions::AddRevision)
+ .def("GetSize", &MMCifInfoRevisions::GetSize)
+ .def("GetDate", &MMCifInfoRevisions::GetDate)
+ .def("GetNum", &MMCifInfoRevisions::GetNum)
+ .def("GetStatus", &MMCifInfoRevisions::GetStatus)
+ .def("GetLastDate", &MMCifInfoRevisions::GetLastDate)
+ .def("GetFirstRelease", &MMCifInfoRevisions::GetFirstRelease)
+ .add_property("date_original", &MMCifInfoRevisions::GetDateOriginal,
+ &MMCifInfoRevisions::SetDateOriginal)
+ .add_property("first_release", &MMCifInfoRevisions::GetFirstRelease)
+ ;
+
class_<MMCifInfo>("MMCifInfo", init<>())
.def("AddCitation", &MMCifInfo::AddCitation)
.def("GetCitations", make_function(&MMCifInfo::GetCitations,
@@ -284,6 +299,9 @@ void export_mmcif_io()
.def("GetMMCifPDBChainTr", &MMCifInfo::GetMMCifPDBChainTr)
.def("AddPDBMMCifChainTr", &MMCifInfo::AddPDBMMCifChainTr)
.def("GetPDBMMCifChainTr", &MMCifInfo::GetPDBMMCifChainTr)
+ .def("SetRevisionsDateOriginal", &MMCifInfo::SetRevisionsDateOriginal)
+ .def("AddRevision", &MMCifInfo::AddRevision)
+ .def("GetRevisions", &MMCifInfo::GetRevisions)
.add_property("citations", make_function(&MMCifInfo::GetCitations,
return_value_policy<copy_const_reference>()))
.add_property("biounits", make_function(&MMCifInfo::GetBioUnits,
@@ -299,5 +317,6 @@ void export_mmcif_io()
return_value_policy<copy_const_reference>()))
.add_property("obsolete", &MMCifInfo::GetObsoleteInfo,
&MMCifInfo::SetObsoleteInfo)
+ .add_property("revisions", &MMCifInfo::GetRevisions)
;
}
diff --git a/modules/io/src/mol/mmcif_info.hh b/modules/io/src/mol/mmcif_info.hh
index 3eebf54b2369947c9d007e616c4d33c2f968750c..f567af0520381f6b726be63046235e2dd0b9a87a 100644
--- a/modules/io/src/mol/mmcif_info.hh
+++ b/modules/io/src/mol/mmcif_info.hh
@@ -545,7 +545,7 @@ private:
///
class DLLEXPORT_OST_IO MMCifInfoObsolete {
public:
- /// \brief Create an object of information baout an obsolete entry.
+ /// \brief Create an object of information about an obsolete entry.
MMCifInfoObsolete(): date_(""), id_(UNKNOWN), pdb_id_(""),
replaced_pdb_id_("") {};
@@ -620,6 +620,95 @@ private:
String replaced_pdb_id_; ///< replaced entry
};
+/// \brief container class for information on file revisions (database_pdb_rev)
+///
+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
+ 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)
+ {
+ if (num_.size() && (num_.back() > num)) {
+ std::stringstream ss;
+ ss << "'num' component of 'database_pdb_rev' category has to increase ";
+ ss << "with every revision, last was ";
+ ss << num_.back();
+ ss << ", trying to add ";
+ ss << num;
+ throw IOException(ss.str());
+ }
+ num_.push_back(num);
+ date_.push_back(date);
+ status_.push_back(status);
+ // set first release date if not already occuoied
+ if (first_release_ == 0) {
+ if (status == "full release") {
+ first_release_ = status_.size();
+ }
+ }
+ }
+
+ /// \brief Get number of revisions stored.
+ ///
+ /// \return number
+ 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_[i]; }
+
+ /// \brief Get revision num by index in list.
+ ///
+ /// \param i position in list
+ /// \return num
+ int GetNum(size_t i) const { return num_[i]; }
+
+ /// \brief Get revision status by index in list.
+ ///
+ /// \param i position in list
+ /// \return status
+ String GetStatus(size_t i) const { return status_[i]; }
+
+ /// \brief Get date of last revision.
+ ///
+ /// \return date
+ String GetLastDate() const { return date_.back(); }
+
+ /// \brief Get the index of the full release revision.
+ ///
+ /// \return index
+ 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
+ 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
+};
+
+
class MMCifInfoStructRef;
class MMCifInfoStructRefSeq;
class MMCifInfoStructRefSeqDif;
@@ -861,6 +950,32 @@ public:
}
const MMCifInfoStructRefs& GetStructRefs() const { return struct_refs_; }
void SetStructRefs(const MMCifInfoStructRefs& sr) { struct_refs_=sr; }
+
+ /// \brief Set date_original of revisions.
+ ///
+ /// \param date
+ void SetRevisionsDateOriginal(String date)
+ {
+ revisions_.SetDateOriginal(date);
+ }
+
+ /// \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)
+ {
+ revisions_.AddRevision(num, date, status);
+ }
+
+ /// \brief Get history
+ ///
+ /// \return MMCifInfoRevisions
+ MMCifInfoRevisions GetRevisions() const
+ {
+ return revisions_;
+ }
//protected:
private:
@@ -869,6 +984,7 @@ private:
Real resolution_;
MMCifInfoStructDetails struct_details_; ///< mmCIF struct category
MMCifInfoObsolete obsolete_; ///< obsolete/ superseded entry
+ MMCifInfoRevisions revisions_; ///< database_pdb_rev category
std::vector<MMCifInfoCitation> citations_; ///< list of citations
std::vector<MMCifInfoBioUnit> biounits_; ///< list of biounits
std::vector<MMCifInfoTransOpPtr> transops_;
diff --git a/modules/io/src/mol/mmcif_reader.cc b/modules/io/src/mol/mmcif_reader.cc
index 12494ce3dc715b315650c9c7ef4dd3eb0381c21d..82606170106dd75090cab69161ae1b53f14cf811 100644
--- a/modules/io/src/mol/mmcif_reader.cc
+++ b/modules/io/src/mol/mmcif_reader.cc
@@ -307,31 +307,40 @@ bool MMCifReader::OnBeginLoop(const StarLoopDesc& header)
this->TryStoreIdx(REPLACE_PDB_ID, "replace_pdb_id", header);
cat_available = true;
} else if (header.GetCategory() == "struct_ref") {
- category_ = STRUCT_REF;
- this->TryStoreIdx(SR_ENTITY_ID, "entity_id", header);
- this->TryStoreIdx(SR_ID, "id", header);
- this->TryStoreIdx(SR_DB_NAME, "db_name", header);
- this->TryStoreIdx(SR_DB_CODE, "db_code", header);
- indices_[SR_DB_ACCESS]=header.GetIndex("pdbx_db_accession");
- cat_available = true;
- } else if (header.GetCategory() == "struct_ref_seq") {
- category_ = STRUCT_REF_SEQ;
- this->TryStoreIdx(SRS_ALIGN_ID, "align_id", header);
- this->TryStoreIdx(SRS_STRUCT_REF_ID, "ref_id", header);
- this->TryStoreIdx(SRS_ENT_ALIGN_BEG, "seq_align_beg", header);
- this->TryStoreIdx(SRS_ENT_ALIGN_END, "seq_align_end", header);
- this->TryStoreIdx(SRS_DB_ALIGN_BEG, "db_align_beg", header);
- this->TryStoreIdx(SRS_DB_ALIGN_END, "db_align_end", header);
+ category_ = STRUCT_REF;
+ this->TryStoreIdx(SR_ENTITY_ID, "entity_id", header);
+ this->TryStoreIdx(SR_ID, "id", header);
+ this->TryStoreIdx(SR_DB_NAME, "db_name", header);
+ this->TryStoreIdx(SR_DB_CODE, "db_code", header);
+ indices_[SR_DB_ACCESS]=header.GetIndex("pdbx_db_accession");
+ cat_available = true;
+ } else if (header.GetCategory() == "struct_ref_seq") {
+ category_ = STRUCT_REF_SEQ;
+ this->TryStoreIdx(SRS_ALIGN_ID, "align_id", header);
+ this->TryStoreIdx(SRS_STRUCT_REF_ID, "ref_id", header);
+ this->TryStoreIdx(SRS_ENT_ALIGN_BEG, "seq_align_beg", header);
+ this->TryStoreIdx(SRS_ENT_ALIGN_END, "seq_align_end", header);
+ this->TryStoreIdx(SRS_DB_ALIGN_BEG, "db_align_beg", header);
+ this->TryStoreIdx(SRS_DB_ALIGN_END, "db_align_end", header);
indices_[SRS_PDBX_STRAND_ID]=header.GetIndex("pdbx_strand_id");
- cat_available = true;
- } else if (header.GetCategory()=="struct_ref_seq_dif") {
- category_ = STRUCT_REF_SEQ_DIF;
- this->TryStoreIdx(SRSD_ALIGN_ID, "align_id", header);
- this->TryStoreIdx(SRSD_SEQ_RNUM, "seq_num", header);
- this->TryStoreIdx(SRSD_DB_RNUM, "pdbx_seq_db_seq_num", header);
- indices_[SRSD_DETAILS]=header.GetIndex("details");
- cat_available = true;
- }
+ cat_available = true;
+ } else if (header.GetCategory()=="struct_ref_seq_dif") {
+ category_ = STRUCT_REF_SEQ_DIF;
+ this->TryStoreIdx(SRSD_ALIGN_ID, "align_id", header);
+ this->TryStoreIdx(SRSD_SEQ_RNUM, "seq_num", header);
+ this->TryStoreIdx(SRSD_DB_RNUM, "pdbx_seq_db_seq_num", header);
+ indices_[SRSD_DETAILS]=header.GetIndex("details");
+ cat_available = true;
+ } else if (header.GetCategory()=="database_PDB_rev") {
+ category_ = DATABASE_PDB_REV;
+ // mandatory items
+ this->TryStoreIdx(DPI_NUM, "num", header);
+ // optional items
+ indices_[DPI_DATE] = header.GetIndex("date");
+ indices_[DPI_DATE_ORIGINAL] = header.GetIndex("date_original");
+ indices_[DPI_STATUS] = header.GetIndex("status");
+ cat_available = true;
+ }
category_counts_[category_]++;
return cat_available;
}
@@ -598,7 +607,6 @@ void MMCifReader::ParseAndAddAtom(const std::vector<StringRef>& columns)
// record type
ah.SetHetAtom(indices_[GROUP_PDB] == -1 ? false :
columns[indices_[GROUP_PDB]][0]=='H');
-
}
void MMCifReader::ParseEntity(const std::vector<StringRef>& columns)
@@ -1301,6 +1309,30 @@ void MMCifReader::ParsePdbxDatabasePdbObsSpr(const std::vector<StringRef>&
info_.SetObsoleteInfo(obs_data);
}
+void MMCifReader::ParseDatabasePDBRev(const std::vector<StringRef>& columns)
+{
+ int num;
+ StringRef date;
+ StringRef status;
+
+ num = this->TryGetInt(columns[indices_[DPI_NUM]], "database_PDB_rev.num");
+ std::cout<<num<<std::endl;
+ if (indices_[DPI_DATE] != -1) {
+ date = columns[indices_[DPI_DATE]];
+ } else {
+ date = StringRef("", 0);
+ }
+ if (indices_[DPI_DATE_ORIGINAL] != -1) {
+ info_.SetRevisionsDateOriginal(columns[indices_[DPI_DATE_ORIGINAL]].str());
+ }
+ if (indices_[DPI_STATUS] != -1) {
+ status = columns[indices_[DPI_STATUS]];
+ } else {
+ status = StringRef("", 0);
+ }
+ info_.AddRevision(num, date.str(), status.str());
+}
+
void MMCifReader::OnDataRow(const StarLoopDesc& header,
const std::vector<StringRef>& columns)
{
@@ -1362,17 +1394,21 @@ void MMCifReader::OnDataRow(const StarLoopDesc& header,
this->ParsePdbxDatabasePdbObsSpr(columns);
break;
case STRUCT_REF:
- LOG_TRACE("processing struct_ref entry");
- this->ParseStructRef(columns);
- break;
+ LOG_TRACE("processing struct_ref entry");
+ this->ParseStructRef(columns);
+ break;
case STRUCT_REF_SEQ:
- LOG_TRACE("processing struct_ref entry");
- this->ParseStructRefSeq(columns);
- break;
+ LOG_TRACE("processing struct_ref entry");
+ this->ParseStructRefSeq(columns);
+ break;
case STRUCT_REF_SEQ_DIF:
- LOG_TRACE("processing struct_ref entry");
- this->ParseStructRefSeqDif(columns);
- break;
+ LOG_TRACE("processing struct_ref entry");
+ this->ParseStructRefSeqDif(columns);
+ break;
+ case DATABASE_PDB_REV:
+ LOG_TRACE("processing database_PDB_rev entry");
+ this->ParseDatabasePDBRev(columns);
+ break;
default:
throw IOException(this->FormatDiagnostic(STAR_DIAG_ERROR,
"Uncatched category '"+ header.GetCategory() +"' found.",
@@ -1424,7 +1460,6 @@ void MMCifReader::AssignSecStructure(mol::EntityHandle ent)
}
}
-
void MMCifReader::ParseStructRef(const std::vector<StringRef>& columns)
{
String ent_id=columns[indices_[SR_ENTITY_ID]].str();
diff --git a/modules/io/src/mol/mmcif_reader.hh b/modules/io/src/mol/mmcif_reader.hh
index e9ff3b893f0e8ade4cce29838b79fb8ab89cf871..b8f6daed068fd5c96293d4d8e6442d24a74b3e0b 100644
--- a/modules/io/src/mol/mmcif_reader.hh
+++ b/modules/io/src/mol/mmcif_reader.hh
@@ -55,6 +55,7 @@ namespace ost { namespace io {
/// \li struct_conf
/// \li struct_sheet_range
/// \li pdbx_database_PDB_obs_spr
+/// \li database_PDB_rev
class DLLEXPORT_OST_IO MMCifReader : public StarParser {
public:
/// \brief create a MMCifReader
@@ -237,8 +238,8 @@ protected:
/// proper handling of our sequence classes, these need to be converted to
/// one-letter-codes. Ideally, we would use the canonical SEQRES. This is
/// not possible, however, since the PDB assigns multiple one letter codes
- /// to some of the residues. To be consistent, we have to do the conversion on
- /// our own.
+ /// to some of the residues. To be consistent, we have to do the conversion
+ /// on our own.
String ConvertSEQRES(const String& seqres, conop::CompoundLibPtr compound_lib);
/// \brief Fetch mmCIF citation_author information
///
@@ -287,6 +288,11 @@ protected:
/// \param columns data row
void ParsePdbxStructOperList(const std::vector<StringRef>& columns);
+ /// \brief Fetch mmCIF database_PDB_rev information
+ ///
+ /// \param columns data row
+ void ParseDatabasePDBRev(const std::vector<StringRef>& columns);
+
/// \brief Fetch mmCIF struct information
///
/// \param columns data row
@@ -420,24 +426,25 @@ private:
SR_DB_ACCESS
} StructRefItems;
- /// \enum items of the struct_ref_seq category
- typedef enum {
- SRS_ALIGN_ID,
- SRS_STRUCT_REF_ID,
- SRS_PDBX_STRAND_ID,
- SRS_DB_ALIGN_BEG,
- SRS_DB_ALIGN_END,
- SRS_ENT_ALIGN_BEG,
- SRS_ENT_ALIGN_END
- } StructRefSeqItems;
-
- /// \enum items of the struct_ref_seq_dif category
- typedef enum {
- SRSD_ALIGN_ID,
- SRSD_SEQ_RNUM,
- SRSD_DB_RNUM,
+ /// \enum items of the struct_ref_seq category
+ typedef enum {
+ SRS_ALIGN_ID,
+ SRS_STRUCT_REF_ID,
+ SRS_PDBX_STRAND_ID,
+ SRS_DB_ALIGN_BEG,
+ SRS_DB_ALIGN_END,
+ SRS_ENT_ALIGN_BEG,
+ SRS_ENT_ALIGN_END
+ } StructRefSeqItems;
+
+ /// \enum items of the struct_ref_seq_dif category
+ typedef enum {
+ SRSD_ALIGN_ID,
+ SRSD_SEQ_RNUM,
+ SRSD_DB_RNUM,
SRSD_DETAILS
- } StructRefSeqDifItems;
+ } StructRefSeqDifItems;
+
/// \enum items of the pdbx_struct_assembly_gen category
typedef enum {
ASSEMBLY_ID, ///< link to pdbx_struct_assembly.id
@@ -511,6 +518,14 @@ private:
REPLACE_PDB_ID, ///< OLD PDB ID
} PdbxDatabasePDBObsSpr;
+ /// \enum categories of the database_PDB_rev category
+ typedef enum {
+ DPI_NUM, ///< unique identifier
+ DPI_DATE, ///< revision date
+ DPI_DATE_ORIGINAL, ///< date of first sight
+ DPI_STATUS, ///< status of a revision
+ } DatabasePDBRevItems;
+
/// \enum categories of the mmcif format
typedef enum {
ATOM_SITE,
@@ -530,6 +545,7 @@ private:
STRUCT_REF,
STRUCT_REF_SEQ,
STRUCT_REF_SEQ_DIF,
+ DATABASE_PDB_REV,
DONT_KNOW
} MMCifCategory;
diff --git a/modules/io/tests/test_mmcif_info.cc b/modules/io/tests/test_mmcif_info.cc
index 65e4fdaecb42ec54fb50d3c579f24ba8b7ae8adb..3f3e21baf4b8a9e3f10b8f65380338668015bfd3 100644
--- a/modules/io/tests/test_mmcif_info.cc
+++ b/modules/io/tests/test_mmcif_info.cc
@@ -187,6 +187,31 @@ BOOST_AUTO_TEST_CASE(mmcif_info_structdetails)
BOOST_MESSAGE(" done.");
}
+BOOST_AUTO_TEST_CASE(mmcif_info_revisions)
+{
+ BOOST_MESSAGE(" Running mmcif_info_revisions tests...");
+
+ MMCifInfoRevisions rev = MMCifInfoRevisions();
+
+ BOOST_CHECK(rev.GetDateOriginal() == "?");
+
+ rev.SetDateOriginal("2012-05-04");
+ rev.AddRevision(1, "2012-05-04", "in preparation");
+ rev.AddRevision(2, "2012-05-05", "full release");
+
+ BOOST_CHECK(rev.GetSize() == 2);
+ BOOST_CHECK(rev.GetDateOriginal() == "2012-05-04");
+ BOOST_CHECK(rev.GetDate(0) == "2012-05-04");
+ BOOST_CHECK(rev.GetNum(0) == 1);
+ BOOST_CHECK(rev.GetStatus(0) == "in preparation");
+ 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_MESSAGE(" done.");
+}
+
BOOST_AUTO_TEST_CASE(mmcif_info)
{
BOOST_MESSAGE(" Running mmcif_info tests...");
@@ -213,6 +238,8 @@ BOOST_AUTO_TEST_CASE(mmcif_info)
BOOST_CHECK("B" == info.GetPDBMMCifChainTr("A"));
BOOST_CHECK("" == info.GetPDBMMCifChainTr("C"));
+ BOOST_CHECK(info.GetRevisions().GetSize() == 0);
+
BOOST_MESSAGE(" done.");
}