Added error checking routines. Added implementation of

assign_protein_type tested against a single hard-coded sequence input.
The next step is to iterate over all records in the HDF5 collection
that don't have a type assigned and to assign a type value.

12 files changed, 211 insertions, 13 deletions

diff --git a/configure.ac b/configure.ac
index 3104df8..f45958c 100644
--- a/configure.ac
+++ b/configure.ac
@@ -24,4 +24,24 @@ AC_CHECK_HEADERS([mpi.h],[],
 AC_CHECK_HEADERS([hdf5.h],[],
 [AC_MSG_ERROR(The HDF5 headers are needed to build the system.)])
 
+########################
+# MODULE: NCBI Toolkit #
+########################
+
+# Check for the NCBI ToolBox libraries.
+AC_SEARCH_LIBS([log10],[m],[],
+[AC_MSG_ERROR(The C Math Library is needed to build the system.)])
+
+AC_SEARCH_LIBS([NlmThreadsAvailable],[ncbi],[],
+[AC_MSG_ERROR(The NCBI ToolBox is needed to build the system. Information on this API can be found on-line at http://www.ncbi.nlm.nih.gov/IEB/ToolBox/index.cgi. Debian users can add the package libncbi6-dev to fulfill this dependency.)])
+
+AC_SEARCH_LIBS([SeqAlignNew],[ncbiobj],[],
+[AC_MSG_ERROR(The NCBI ToolBox is needed to build the system. Information on this API can be found on-line at http://www.ncbi.nlm.nih.gov/IEB/ToolBox/index.cgi. Debian users can add the package libncbi6-dev to fulfill this dependency.)])
+
+AC_SEARCH_LIBS([Blast_RedoOneMatch],[blastcompadj],[],
+[AC_MSG_ERROR(The NCBI ToolBox is needed to build the system. Information on this API can be found on-line at http://www.ncbi.nlm.nih.gov/IEB/ToolBox/index.cgi. Debian users can add the package libncbi6-dev to fulfill this dependency.)])
+
+AC_SEARCH_LIBS([BioseqBlastEngine],[ncbitool],[],
+[AC_MSG_ERROR(The NCBI ToolBox is needed to build the system. Information on this API can be found on-line at http://www.ncbi.nlm.nih.gov/IEB/ToolBox/index.cgi. Debian users can add the package libncbi6-dev to fulfill this dependency.)])
+
 AC_OUTPUT
diff --git a/src/Makefile.am b/src/Makefile.am
index 8098f33..fcbcdd5 100644
--- a/src/Makefile.am
+++ b/src/Makefile.am
@@ -3,6 +3,9 @@ bin_PROGRAMS = aggregator
 aggregator_SOURCES = \
 	aggregator.c \
 	assign_protein_type.c \
+	check_error.c \
+	check_h5_error.c \
+	check_ncbi_error.c \
 	load_influenza_aa_dat.c \
 	load_influenza_faa.c
 
@@ -10,6 +13,9 @@ aggregator_LDADD = -lhdf5
 
 noinst_HEADERS = \
 	assign_protein_type.h \
+	check_error.h \
+	check_h5_error.h \
+	check_ncbi_error.h \
 	load_influenza_aa_dat.h \
 	load_influenza_faa.h
 
diff --git a/src/aggregator.c b/src/aggregator.c
index 228e5c6..20da6df 100644
--- a/src/aggregator.c
+++ b/src/aggregator.c
@@ -3,6 +3,8 @@
  * container.
  */
 
+#include "assign_protein_type.h"
+#include "check_h5_error.h"
 #include "load_influenza_aa_dat.h"
 #include "load_influenza_faa.h"
 
@@ -14,22 +16,26 @@ main()
   /*
    * Create the HDF5 file.
    */
-  hid_t file_id = H5Fcreate (FILE, H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT);
+  //  hid_t file_id = H5Fcreate (FILE, H5F_ACC_TRUNC, H5P_DEFAULT, H5P_DEFAULT);
 
   /*
    * Load the supplementary protein data file.
    */
-  load_influenza_aa_dat (file_id);
+  //  load_influenza_aa_dat (file_id);
 
   /*
    * Load the FASTA protein sequence data file.
    */
-  load_influenza_faa (file_id);
+  //  load_influenza_faa (file_id);
 
   /*
    * Close the HD5 file.
    */
-  H5Fclose (file_id);
+  //  herr_t status = H5Fclose (file_id);
+  //  if (status < 0)
+  //    check_h5_error (status, __FILE__, __LINE__);
+
+  assign_protein_type (0);
 
   return 0;
 }
diff --git a/src/assign_protein_type.c b/src/assign_protein_type.c
index 2ba59a7..643ea3f 100644
--- a/src/assign_protein_type.c
+++ b/src/assign_protein_type.c
@@ -1,8 +1,80 @@
 #include "assign_protein_type.h"
+#include "check_ncbi_error.h"
+#include <ncbi.h>
+#include <readdb.h>
+#include <blast.h>
+#include <salpacc.h>
+#include <stdbool.h>
+
+/*
+ * BLAST database containing all of the influenza protein sequences.
+ */
+#define SEQDB "/home/don/exp004/influenzadb/influenzadb"
+
+/*
+ * BLAST reference database of prototypical protein types.
+ */
+#define REFDB "/home/don/exp004/influenzadb/proteinnames"
+
+#define BUFFER_LEN 50
 
 void
 assign_protein_type (hid_t file_id)
 {
+  /*
+   * Iterate through the records for which no protein type has been
+   * assigned.  Create a BioSeq Pointer to the data and then use this
+   * as input to the BLAST run against the reference database of
+   * prototypical sequence records.
+   */
+
+  /* 
+   * Make BLAST messages reportable.
+   */
+  ErrSetMessageLevel (SEV_WARNING);
+
+  /*
+   * Open the BLAST sequence database.
+   */
+  ReadDBFILEPtr seqdb = readdb_new (SEQDB, true);
+
+  /*
+   * Get default BLAST options.
+   */
+  BLAST_OptionsBlkPtr options = BLASTOptionNew ("blastp", true);
+  ValNodePtr error_returns = NULL;
+
+  /*
+   * Read the sequence from the database by GI.
+   */
+  Int4 sequence_number = readdb_gi2seq (seqdb, 453644, NULL);
+  BioseqPtr bsp = readdb_get_bioseq(seqdb, sequence_number);
+  
+  SeqAlignPtr seqalign = BioseqBlastEngine (bsp,
+					    "blastp",
+					    REFDB,
+					    options,
+					    NULL,
+					    &error_returns,
+					    NULL);
+
+  if (error_returns != NULL)
+    check_ncbi_error (error_returns, __FILE__, __LINE__);
+
+  if (seqalign != NULL)
+    {
+      Char target_id_buf[BUFFER_LEN + 1];
+      SeqIdPtr target_id = SeqAlignId (seqalign, 1);
+      SeqIdWrite (target_id, target_id_buf, PRINTID_FASTA_SHORT, BUFFER_LEN);
+      printf ("%s\n",
+	      target_id_buf);
+    }
+
+  // Clean up memory for the next ieration.
+  seqalign = SeqAlignSetFree (seqalign);
+  bsp = BioseqFree (bsp);
+
+  options = BLASTOptionDelete (options);
 
   return;
 }
diff --git a/src/assign_protein_type.h b/src/assign_protein_type.h
index 312b774..1dfb8e6 100644
--- a/src/assign_protein_type.h
+++ b/src/assign_protein_type.h
@@ -4,7 +4,11 @@
 #include <hdf5.h>
 
 /*
- * Determine the protein type for each protein sequence record.
+ * Determine the protein type for each protein sequence record.  The
+ * technique used by NCBI is used here.  A BLAST database of
+ * prototypical protein sequences serves as the reference.  Each input
+ * sequence is BLASTed against this database.  The first hit is used
+ * to assign a protein type to sequence.
  */
 void
 assign_protein_type (hid_t file_id);
diff --git a/src/check_error.c b/src/check_error.c
new file mode 100644
index 0000000..70c62c4
--- a/dev/null
+++ b/src/check_error.c
@@ -0,0 +1,14 @@
+#include "check_error.h"
+#include <error.h>
+#include <errno.h>
+#include <stdlib.h>
+
+void
+check_error (const char *filename, const unsigned int linenum)
+{
+  if (errno)
+    error_at_line (EXIT_FAILURE, errno, filename, linenum, 
+		   "An error has been detected within the application.");
+
+  return;
+}
diff --git a/src/check_error.h b/src/check_error.h
new file mode 100644
index 0000000..33acc63
--- a/dev/null
+++ b/src/check_error.h
@@ -0,0 +1,11 @@
+#ifndef CHECK_ERROR_H
+#define CHECK_ERROR_H
+
+/*
+ * Check the error state.  Reports and error message and exits if an
+ * error has occured.
+ */
+void
+check_error (const char *filename, unsigned int linenum);
+
+#endif // CHECK_ERROR_H
diff --git a/src/check_h5_error.c b/src/check_h5_error.c
new file mode 100644
index 0000000..30fc87c
--- a/dev/null
+++ b/src/check_h5_error.c
@@ -0,0 +1,12 @@
+#include "check_h5_error.h"
+#include <error.h>
+#include <stdlib.h>
+
+void
+check_h5_error (herr_t status, const char* filename, unsigned int linenum)
+{
+  error_at_line (EXIT_FAILURE, 0, filename, linenum,
+		 "An error has been reported by the HDF5 API.");
+
+  return;
+}
diff --git a/src/check_h5_error.h b/src/check_h5_error.h
new file mode 100644
index 0000000..74730cd
--- a/dev/null
+++ b/src/check_h5_error.h
@@ -0,0 +1,12 @@
+#ifndef CHECK_H5_ERROR_H
+#define CHECK_H5_ERROR_H
+
+#include <hdf5.h>
+
+/*
+ * Handle errors from the HDF5 API.
+ */
+void
+check_h5_error (herr_t status, const char* filename, unsigned int linenum);
+
+#endif // CHECK_H5_ERROR_H
diff --git a/src/check_ncbi_error.c b/src/check_ncbi_error.c
new file mode 100644
index 0000000..3caa7a9
--- a/dev/null
+++ b/src/check_ncbi_error.c
@@ -0,0 +1,13 @@
+#include "check_ncbi_error.h"
+
+void
+check_ncbi_error (ValNodePtr error_returns,
+		  const char* filename,
+		  unsigned int linenum)
+{
+  error_at_line (EXIT_FAILURE, 0, filename, linenum,
+		 "An error has been reported by the NCBI Toolkit API: %s",
+		 BlastErrorToString (error_returns));
+
+  return;
+}
diff --git a/src/check_ncbi_error.h b/src/check_ncbi_error.h
new file mode 100644
index 0000000..c27c56d
--- a/dev/null
+++ b/src/check_ncbi_error.h
@@ -0,0 +1,13 @@
+#ifndef CHECK_NCBI_ERROR_H
+#define CHECK_NCBI_ERROR_H
+
+#include <ncbi.h>
+
+/*
+ * Handle errors from the NCBI Toolkit API.
+ */
+void
+check_ncbi_error (ValNodePtr error_returns,
+		  const char* filename, unsigned int linenum);
+
+#endif // CHECK_NCBI_ERROR_H
diff --git a/src/load_influenza_aa_dat.c b/src/load_influenza_aa_dat.c
index 493c7db..91ef415 100644
--- a/src/load_influenza_aa_dat.c
+++ b/src/load_influenza_aa_dat.c
@@ -6,6 +6,8 @@
  */
 
 #include "load_influenza_aa_dat.h"
+#include "check_error.h"
+#include "check_h5_error.h"
 #include "hdf5_hl.h"
 #include <string.h>
 #include <stdlib.h>
@@ -140,7 +142,10 @@ load_influenza_aa_dat (hid_t file_id)
    * Insert the records.
    */
   supplementary_data p_data;
-  FILE* dat = fopen ("/home/don/exp004/genomes/INFLUENZA/influenza_aa.dat", "r");
+  FILE* dat = fopen ("/home/don/exp004/genomes/INFLUENZA/influenza_aa.dat",
+		     "r");
+  if (dat == NULL)
+    check_error (__FILE__, __LINE__);
   char *line = NULL;
   size_t len = 0;
   int current_line = 0;
@@ -205,13 +210,23 @@ load_influenza_aa_dat (hid_t file_id)
     strncpy(p_data.full_length_indicator, strsep (&running, "\t"),
 	    sizeof(p_data.full_length_indicator));
 
-    if (current_line == 1)     
-      H5TBmake_table ("influenza_aa.dat", file_id, TABLE_NAME,NFIELDS,1,
-		      dst_size,field_names, dst_offset, field_type,
-		      chunk_size, fill_data, compress, &p_data);
-    else     
-      H5TBappend_records (file_id, TABLE_NAME, 1, dst_size, dst_offset,
-			 dst_sizes, &p_data);
+    if (current_line == 1) 
+      {
+	herr_t status = H5TBmake_table ("influenza_aa.dat", file_id,
+					TABLE_NAME, NFIELDS, 1,	dst_size,
+					field_names, dst_offset, field_type,
+					chunk_size, fill_data, compress,
+					&p_data);
+	if (status < 0)
+	  check_h5_error (status, __FILE__, __LINE__);
+      }
+    else
+      {
+	herr_t status = H5TBappend_records (file_id, TABLE_NAME, 1, dst_size,
+					    dst_offset, dst_sizes, &p_data);
+	if (status < 0)
+	  check_h5_error (status, __FILE__, __LINE__);
+      }
 
     if (running)
       free (running);