CMakeLists.txt

 cmake_minimum_required(VERSION 3.2)
-project(spoa LANGUAGES CXX VERSION 1.1.3)
+project(spoa LANGUAGES CXX VERSION 3.0.0)
 
 include(GNUInstallDirs)
 
@@ -7,13 +7,18 @@ set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/lib)
 set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/lib)
 set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${PROJECT_BINARY_DIR}/bin)
 
-set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wall -Wextra -pedantic -march=native")
+set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -Wall -Wextra -pedantic")
 set(CMAKE_CXX_STANDARD 11)
 set(CMAKE_CXX_STANDARD_REQUIRED ON)
 set(CMAKE_CXX_EXTENSIONS OFF)
 
 option(spoa_build_executable "Build spoa standalone tool" OFF)
 option(spoa_build_tests "Build spoa unit tests" OFF)
+option(spoa_optimize_for_native "Buiold spoa with march=native" ON)
+
+if (spoa_optimize_for_native)
+    set(CMAKE_CXX_FLAGS "${CMAKE_CXX_FLAGS} -march=native")
+endif()
 
 # build SPOA as a static library by default
 set(BUILD_SHARED_LIBS OFF CACHE BOOL "Build all libraries as shared")
@@ -53,7 +58,7 @@ if (spoa_build_executable)
     set_target_properties(spoa_bin PROPERTIES OUTPUT_NAME spoa)
 
     install(TARGETS spoa_bin DESTINATION ${CMAKE_INSTALL_BINDIR})
-endif(spoa_build_executable)
+endif()
 
 if (spoa_build_tests)
     set(spoa_test_data_path ${PROJECT_SOURCE_DIR}/test/data/)
@@ -69,7 +74,9 @@ if (spoa_build_tests)
     if (NOT TARGET bioparser)
         add_subdirectory(vendor/bioparser EXCLUDE_FROM_ALL)
     endif()
+    if (NOT TARGET gtest_main)
         add_subdirectory(vendor/googletest/googletest EXCLUDE_FROM_ALL)
+    endif()
 
     target_link_libraries(spoa_test spoa bioparser gtest_main)
-endif(spoa_build_tests)
+endif()

README.md

@@ -4,7 +4,7 @@
 [![Build status for c++/clang++](https://travis-ci.org/rvaser/spoa.svg?branch=master)](https://travis-ci.org/rvaser/spoa)
 [![Published in Genome Research](https://img.shields.io/badge/published%20in-Genome%20Research-blue.svg)](https://doi.org/10.1101/gr.214270.116)
 
-Spoa (SIMD POA) is a c++ implementation of the partial order alignment (POA) algorithm (as described in 10.1093/bioinformatics/18.3.452) which is used to generate consensus sequences (as described in 10.1093/bioinformatics/btg109). It supports three alignment modes: local (Smith-Waterman), global (Needleman-Wunsch) and semi-global alignment (overlap). It supports Intel SSE4.1+ and AVX2 (marginally faster due to high latency shifts) vectorization.
+Spoa (SIMD POA) is a c++ implementation of the partial order alignment (POA) algorithm (as described in 10.1093/bioinformatics/18.3.452) which is used to generate consensus sequences (as described in 10.1093/bioinformatics/btg109). It supports three alignment modes: local (Smith-Waterman), global (Needleman-Wunsch) and semi-global alignment (overlap), and three gap modes: linear, affine and convex (piecewise affine). It supports Intel SSE4.1+ and AVX2 vectorization (marginally faster due to high latency shifts).
 
 ## Dependencies
 
@@ -39,25 +39,40 @@ Optionally, you can run `sudo make install` to install spoa library (and executa
 
 ***Note***: if you omitted `--recursive` from `git clone`, run `git submodule init` and `git submodule update` before proceeding with compilation.
 
+To build unit tests add `-Dspoa_build_tests=ON` while running `cmake`. After installation, an executable named `spoa_test` will be created in `build/bin`.
+
 ## Usage
 
 Usage of spoa is as following:
 
+```bash
 spoa [options ...] <sequences>
 
     <sequences>
-            input file in FASTA/FASTQ format containing sequences
+        input file in FASTA/FASTQ format (can be compressed with gzip)
+        containing sequences
 
     options:
-            -m, --match <int>
+        -m <int>
             default: 5
             score for matching bases
-            -x, --mismatch <int>
+        -n <int>
             default: -4
             score for mismatching bases
-            -g, --gap <int>
+        -g <int>
             default: -8
-                gap penalty (must be negative)
+            gap opening penalty (must be non-positive)
+        -e <int>
+            default: -6
+            gap extension penalty (must be non-positive)
+        -q <int>
+            default: -10
+            gap opening penalty of the second affine function
+            (must be non-positive)
+        -c <int>
+            default: -4
+            gap extension penalty of the second affine function
+            (must be non-positive)
         -l, --algorithm <int>
             default: 0
             alignment mode:
@@ -70,11 +85,19 @@ Usage of spoa is as following:
                 0 - consensus
                 1 - multiple sequence alignment
                 2 - 0 & 1
+        -d, --dot <file>
+            output file for the final POA graph in DOT format
         --version
             prints the version number
         -h, --help
             prints the usage
 
+    gap mode:
+        linear if g >= e
+        affine if g <= q or e >= c
+        convex otherwise (default)
+```
+
 ### Library
 
 Simple library usage can be seen in the following `example.cpp` file. This code shows how to get consensus and multiple sequence alignment for a set of sequences without quality values.
@@ -94,12 +117,12 @@ int main(int argc, char** argv) {
     };
 
     auto alignment_engine = spoa::createAlignmentEngine(static_cast<spoa::AlignmentType>(atoi(argv[1])),
-        atoi(argv[2]), atoi(argv[3]), atoi(argv[4]));
+        atoi(argv[2]), atoi(argv[3]), atoi(argv[4]), atoi(argv[5]));
 
     auto graph = spoa::createGraph();
 
     for (const auto& it: sequences) {
-        auto alignment = alignment_engine->align_sequence_with_graph(it, graph);
+        auto alignment = alignment_engine->align(it, graph);
         graph->add_alignment(alignment, it);
     }
 
@@ -131,7 +154,7 @@ g++ example.cpp -std=c++11 -lspoa -o example
 
 The executable can be run with:
 ```bash
-./example 0 5 -4 -8
+./example 0 5 -4 -8 -6
 ```
 
 On the other hand, if you are using `cmake` you can add spoa to your project by adding commands `add_subdirectory(vendor/spoa EXCLUDE_FROM_ALL)` and `target_link_libraries(your_exe spoa)` to your main CMakeLists file.

debian/changelog

+spoa (3.0.1-1~bpo9+1) stretch-backports-sloppy; urgency=medium
+
+  * Rebuild for stretch-backports.
+
+ -- Andreas Tille <tille@debian.org>  Tue, 12 Nov 2019 16:10:51 +0100
+
+spoa (3.0.1-1) unstable; urgency=medium
+
+  * Fix symbols file
+    Closes: #925835, #940280
+  * New upstream version
+  * debhelper-compat 12
+
+ -- Andreas Tille <tille@debian.org>  Mon, 16 Sep 2019 13:24:48 +0200
+
+spoa (3.0.0-1) unstable; urgency=medium
+
+  * New upstream version
+  * Standards-Version: 4.4.0
+  * Versioned Build-Depends: libbioparser-dev (>= 2.0)
+  * Bump soversion to 3
+
+ -- Andreas Tille <tille@debian.org>  Mon, 15 Jul 2019 16:12:17 +0200
+
+spoa (1.1.5-1) unstable; urgency=medium
+
+  * New upstream version
+  * debhelper 12
+  * Standards-Version: 4.3.0
+  * Upstream changed ABI and we stick here to the broken way to set
+    soversion = version but upstream was informed to invent better soversions
+    https://github.com/rvaser/spoa/issues/14
+
+ -- Andreas Tille <tille@debian.org>  Mon, 28 Jan 2019 21:13:39 +0100
+
+spoa (1.1.3-4) unstable; urgency=medium
+
+  * Set architecture to amd64 since the code is not really portable
+    Closes: #913574
+
+ -- Andreas Tille <tille@debian.org>  Thu, 06 Dec 2018 11:35:45 +0100
+
+spoa (1.1.3-3) unstable; urgency=medium
+
+  * Do not build with -march
+    Closes: #911970
+  * Remove trailing whitespace in debian/copyright
+  * Mark two symbols as optional
+
+ -- Andreas Tille <tille@debian.org>  Sat, 03 Nov 2018 07:38:44 +0100
+
 spoa (1.1.3-2~bpo9+1) stretch-backports; urgency=medium
 
   * Rebuild for stretch-backports.

debian/compat

-11

debian/control

@@ -3,20 +3,20 @@ Maintainer: Debian Med Packaging Team <debian-med-packaging@lists.alioth.debian.
 Uploaders: Andreas Tille <tille@debian.org>
 Section: science
 Priority: optional
-Build-Depends: debhelper (>= 11~),
+Build-Depends: debhelper-compat (= 12),
                cmake,
                d-shlibs,
                rename,
-               libbioparser-dev,
+               libbioparser-dev (>= 2.0),
                libgtest-dev,
                zlib1g-dev
-Standards-Version: 4.2.1
+Standards-Version: 4.4.0
 Vcs-Browser: https://salsa.debian.org/med-team/spoa
 Vcs-Git: https://salsa.debian.org/med-team/spoa.git
 Homepage: https://github.com/rvaser/spoa
 
 Package: spoa
-Architecture: any
+Architecture: amd64
 Depends: ${shlibs:Depends},
          ${misc:Depends}
 Description: SIMD partial order alignment tool
@@ -27,8 +27,8 @@ Description: SIMD partial order alignment tool
  (Smith-Waterman), global (Needleman-Wunsch) and semi-global alignment
  (overlap).
 
-Package: libspoa1.1.3
-Architecture: any
+Package: libspoa3
+Architecture: amd64
 Section: libs
 Depends: ${shlibs:Depends},
          ${misc:Depends}
@@ -43,11 +43,11 @@ Description: SIMD partial order alignment library
  This package contains the shared library.
 
 Package: libspoa-dev
-Architecture: any
+Architecture: amd64
 Section: libdevel
 Depends: ${shlibs:Depends},
          ${misc:Depends},
-         libspoa1.1.3 (= ${binary:Version})
+         libspoa3 (= ${binary:Version})
 Description: SIMD partial order alignment library (development files)
  Spoa (SIMD POA) is a c++ implementation of the partial order alignment
  (POA) algorithm (as described in 10.1093/bioinformatics/18.3.452) which

debian/patches/fix_soversion.patch

+Note: Patch is not activated to not derive to much from upstream
+Description: Invent SOVERSION different from upstream version
+Author: Andreas Tille <tille@debian.org>
+Last-Update: Mon, 28 Jan 2019 20:04:58 +0100
+Bug-Upstream: https://github.com/rvaser/spoa/issues/14
+
+--- a/CMakeLists.txt
++++ b/CMakeLists.txt
+@@ -1,5 +1,5 @@
+ cmake_minimum_required(VERSION 3.2)
+-project(spoa LANGUAGES CXX VERSION 3.0.0)
++project(spoa LANGUAGES CXX VERSION 3)
+ 
+ include(GNUInstallDirs)
+ 

debian/patches/series

 use_debian_packaged_libs.patch
 shared_and_static.patch
+fix_soversion.patch

debian/patches/shared_and_static.patch

@@ -4,8 +4,8 @@ Description: Build shared and static lib
 
 --- a/CMakeLists.txt
 +++ b/CMakeLists.txt
-@@ -16,9 +16,15 @@ option(spoa_build_executable "Build spoa
- option(spoa_build_tests "Build spoa unit tests" OFF)
+@@ -21,9 +21,15 @@ if (spoa_optimize_for_native)
+ endif()
  
  # build SPOA as a static library by default
 -set(BUILD_SHARED_LIBS OFF CACHE BOOL "Build all libraries as shared")
@@ -22,7 +22,7 @@ Description: Build shared and static lib
      src/alignment_engine.cpp
      src/graph.cpp
      src/simd_alignment_engine.cpp
-@@ -28,12 +34,17 @@ target_include_directories(spoa PUBLIC
+@@ -33,12 +39,17 @@ target_include_directories(spoa PUBLIC
      $<BUILD_INTERFACE:${CMAKE_CURRENT_SOURCE_DIR}/include>
      $<INSTALL_INTERFACE:include>)
  

debian/patches/use_debian_packaged_libs.patch

@@ -4,7 +4,7 @@ Description: Use Debian packaged libraries
 
 --- a/CMakeLists.txt
 +++ b/CMakeLists.txt
-@@ -45,11 +45,7 @@ if (spoa_build_executable)
+@@ -50,11 +50,7 @@ if (spoa_build_executable)
          src/sequence.cpp
          src/main.cpp)
  
@@ -17,15 +17,17 @@ Description: Use Debian packaged libraries
      set_target_properties(spoa_bin PROPERTIES OUTPUT_NAME spoa)
  
      install(TARGETS spoa_bin DESTINATION ${CMAKE_INSTALL_BINDIR})
-@@ -66,10 +62,5 @@ if (spoa_build_tests)
+@@ -71,12 +67,5 @@ if (spoa_build_tests)
          src/sequence.cpp
          test/spoa_test.cpp)
  
 -    if (NOT TARGET bioparser)
 -        add_subdirectory(vendor/bioparser EXCLUDE_FROM_ALL)
 -    endif()
+-    if (NOT TARGET gtest_main)
 -        add_subdirectory(vendor/googletest/googletest EXCLUDE_FROM_ALL)
+-    endif()
 -
 -    target_link_libraries(spoa_test spoa bioparser gtest_main)
 +    target_link_libraries(spoa_test spoa gtest_main gtest z pthread)
- endif(spoa_build_tests)
+ endif()

debian/rules

@@ -6,7 +6,8 @@ export DEB_BUILD_MAINT_OPTIONS=hardening=+all
 
 DEB_CMAKE_EXTRA_FLAGS = -DCMAKE_BUILD_TYPE=Release \
                         -Dspoa_build_executable=ON \
-                        -Dspoa_build_tests=ON
+                        -Dspoa_build_tests=ON \
+                        -Dspoa_optimize_for_native=FALSE
 
 %:
 	dh $@

include/spoa/alignment_engine.hpp

@@ -6,7 +6,7 @@
 
 #pragma once
 
-#include <stdint.h>
+#include <cstdint>
 #include <string>
 #include <memory>
 #include <vector>
@@ -20,34 +20,54 @@ enum class AlignmentType {
     kOV // Overlap
 };
 
+enum class AlignmentSubtype {
+    kLinear,
+    kAffine,
+    kConvex
+};
+
 class Graph;
-using Alignment = std::vector<std::pair<int32_t, int32_t>>;
+using Alignment = std::vector<std::pair<std::int32_t, std::int32_t>>;
 
 class AlignmentEngine;
-std::unique_ptr<AlignmentEngine> createAlignmentEngine(
-    AlignmentType alignment_type, int8_t match, int8_t mismatch, int8_t gap);
+std::unique_ptr<AlignmentEngine> createAlignmentEngine(AlignmentType type,
+    std::int8_t m, std::int8_t n, std::int8_t g);
+
+std::unique_ptr<AlignmentEngine> createAlignmentEngine(AlignmentType type,
+    std::int8_t m, std::int8_t n, std::int8_t g, std::int8_t e);
+
+std::unique_ptr<AlignmentEngine> createAlignmentEngine(AlignmentType type,
+    std::int8_t m, std::int8_t n, std::int8_t g, std::int8_t e,
+    std::int8_t q, std::int8_t c);
 
 class AlignmentEngine {
 public:
     virtual ~AlignmentEngine() {}
 
-    virtual void prealloc(uint32_t max_sequence_size, uint32_t alphabet_size) = 0;
+    virtual void prealloc(std::uint32_t max_sequence_size,
+        std::uint32_t alphabet_size) = 0;
 
-    Alignment align_sequence_with_graph(const std::string& sequence,
+    Alignment align(const std::string& sequence,
         const std::unique_ptr<Graph>& graph);
 
-    virtual Alignment align_sequence_with_graph(const char* sequence,
-        uint32_t sequence_size, const std::unique_ptr<Graph>& graph) = 0;
+    virtual Alignment align(const char* sequence, std::uint32_t sequence_size,
+        const std::unique_ptr<Graph>& graph) noexcept = 0;
+
 protected:
-    AlignmentEngine(AlignmentType alignment_type, int8_t match, int8_t mismatch,
-        int8_t gap);
+    AlignmentEngine(AlignmentType type, AlignmentSubtype subtype, std::int8_t m,
+        std::int8_t n, std::int8_t g, std::int8_t e, std::int8_t q,
+        std::int8_t c);
     AlignmentEngine(const AlignmentEngine&) = delete;
     const AlignmentEngine& operator=(const AlignmentEngine&) = delete;
 
-    AlignmentType alignment_type_;
-    int8_t match_;
-    int8_t mismatch_;
-    int8_t gap_;
+    AlignmentType type_;
+    AlignmentSubtype subtype_;
+    std::int8_t m_;
+    std::int8_t n_;
+    std::int8_t g_;
+    std::int8_t e_;
+    std::int8_t q_;
+    std::int8_t c_;
 };
 
 }

include/spoa/graph.hpp

@@ -6,7 +6,7 @@
 
 #pragma once
 
-#include <stdint.h>
+#include <cstdint>
 #include <memory>
 #include <string>
 #include <vector>
@@ -21,7 +21,7 @@ class Edge;
 class Graph;
 std::unique_ptr<Graph> createGraph();
 
-using Alignment = std::vector<std::pair<int32_t, int32_t>>;
+using Alignment = std::vector<std::pair<std::int32_t, std::int32_t>>;
 
 class Graph {
 public:
@@ -31,72 +31,80 @@ public:
         return nodes_;
     }
 
-    const std::vector<uint32_t>& rank_to_node_id() const {
+    const std::vector<std::uint32_t>& rank_to_node_id() const {
         return rank_to_node_id_;
     }
 
-    uint32_t num_codes() const {
+    std::uint32_t num_codes() const {
         return num_codes_;
     };
 
-    uint8_t coder(uint8_t c) const {
+    std::uint8_t coder(std::uint8_t c) const {
         return coder_[c];
     }
 
-    uint8_t decoder(uint8_t code) const {
+    std::uint8_t decoder(std::uint8_t code) const {
         return decoder_[code];
     }
 
     void add_alignment(const Alignment& alignment, const std::string& sequence,
-        uint32_t weight = 1);
+        std::uint32_t weight = 1);
 
     void add_alignment(const Alignment& alignment, const char* sequence,
-        uint32_t sequence_size, uint32_t weight = 1);
+        std::uint32_t sequence_size, std::uint32_t weight = 1);
 
     void add_alignment(const Alignment& alignment, const std::string& sequence,
         const std::string& quality);
 
     void add_alignment(const Alignment& alignment, const char* sequence,
-        uint32_t sequence_size, const char* quality, uint32_t quality_size);
+        std::uint32_t sequence_size, const char* quality,
+        std::uint32_t quality_size);
 
     void add_alignment(const Alignment& alignment, const std::string& sequence,
-        const std::vector<uint32_t>& weights);
+        const std::vector<std::uint32_t>& weights);
 
     void add_alignment(const Alignment& alignment, const char* sequence,
-        uint32_t sequence_size, const std::vector<uint32_t>& weights);
+        std::uint32_t sequence_size, const std::vector<std::uint32_t>& weights);
 
     void generate_multiple_sequence_alignment(std::vector<std::string>& dst,
         bool include_consensus = false);
 
     std::string generate_consensus();
     // returns  base coverages or complete summary matrix if verbose equals true
-    std::string generate_consensus(std::vector<uint32_t>& dst, bool verbose = false);
+    std::string generate_consensus(std::vector<std::uint32_t>& dst,
+        bool verbose = false);
 
-    std::unique_ptr<Graph> subgraph(uint32_t begin_node_id, uint32_t end_node_id,
-        std::vector<int32_t>& subgraph_to_graph_mapping) const;
+    std::unique_ptr<Graph> subgraph(std::uint32_t begin_node_id,
+        std::uint32_t end_node_id,
+        std::vector<std::int32_t>& subgraph_to_graph_mapping) const;
 
     void update_alignment(Alignment& alignment,
-        const std::vector<int32_t>& subgraph_to_graph_mapping) const;
+        const std::vector<std::int32_t>& subgraph_to_graph_mapping) const;
 
-    void print_graphviz() const;
+    void print_dot(const std::string& path) const;
+
+    void clear();
 
     friend std::unique_ptr<Graph> createGraph();
+
 private:
     Graph();
     Graph(const Graph&) = delete;
     const Graph& operator=(const Graph&) = delete;
 
-    static std::unique_ptr<Node> createNode(uint32_t id, uint32_t code);
+    static std::unique_ptr<Node> createNode(std::uint32_t id, std::uint32_t code);
 
-    static std::unique_ptr<Edge> createEdge(uint32_t begin_node_id,
-        uint32_t end_node_id, uint32_t label, uint32_t weight);
+    static std::unique_ptr<Edge> createEdge(std::uint32_t begin_node_id,
+        std::uint32_t end_node_id, std::uint32_t label, std::uint32_t weight);
 
-    uint32_t add_node(uint32_t code);
+    std::uint32_t add_node(std::uint32_t code);
 
-    void add_edge(uint32_t begin_node_id, uint32_t end_node_id, uint32_t weight);
+    void add_edge(std::uint32_t begin_node_id, std::uint32_t end_node_id,
+        std::uint32_t weight);
 
-    int32_t add_sequence(const char* sequence, const std::vector<uint32_t>& weights,
-        uint32_t begin, uint32_t end);
+    std::int32_t add_sequence(const char* sequence,
+        const std::vector<std::uint32_t>& weights, std::uint32_t begin,
+        std::uint32_t end);
 
     void topological_sort();
 
@@ -104,34 +112,35 @@ private:
 
     void traverse_heaviest_bundle();
 
-    uint32_t branch_completion(std::vector<int64_t>& scores,
-        std::vector<int32_t>& predecessors,
-        uint32_t rank);
+    std::uint32_t branch_completion(std::vector<std::int64_t>& scores,
+        std::vector<std::int32_t>& predecessors,
+        std::uint32_t rank);
 
-    void extract_subgraph_nodes(std::vector<bool>& dst, uint32_t current_node_id,
-        uint32_t end_node_id) const;
+    void extract_subgraph_nodes(std::vector<bool>& dst,
+        std::uint32_t current_node_id, std::uint32_t end_node_id) const;
 
-    uint32_t initialize_multiple_sequence_alignment(std::vector<uint32_t>& dst) const;
+    std::uint32_t initialize_multiple_sequence_alignment(
+        std::vector<std::uint32_t>& dst) const;
 
-    uint32_t num_sequences_;
-    uint32_t num_codes_;
-    std::vector<int32_t> coder_;
-    std::vector<int32_t> decoder_;
+    std::uint32_t num_sequences_;
+    std::uint32_t num_codes_;
+    std::vector<std::int32_t> coder_;
+    std::vector<std::int32_t> decoder_;
     std::vector<std::unique_ptr<Node>> nodes_;
-    std::vector<uint32_t> rank_to_node_id_;
-    std::vector<uint32_t> sequences_begin_nodes_ids_;
-    std::vector<uint32_t> consensus_;
+    std::vector<std::uint32_t> rank_to_node_id_;
+    std::vector<std::uint32_t> sequences_begin_nodes_ids_;
+    std::vector<std::uint32_t> consensus_;
 };
 
 class Node {
 public:
     ~Node();
 
-    uint32_t id() const {
+    std::uint32_t id() const {
         return id_;
     }
 
-    uint32_t code() const {
+    std::uint32_t code() const {
         return code_;
     }
 
@@ -143,53 +152,55 @@ public:
         return out_edges_;
     }
 
-    const std::vector<uint32_t>& aligned_nodes_ids() const {
+    const std::vector<std::uint32_t>& aligned_nodes_ids() const {
         return aligned_nodes_ids_;
     }
 
-    bool successor(uint32_t& dst, uint32_t label) const;
+    bool successor(std::uint32_t& dst, std::uint32_t label) const;
 
-    uint32_t coverage() const;
+    std::uint32_t coverage() const;
 
     friend Graph;
+
 private:
-    Node(uint32_t id, uint32_t code);
+    Node(std::uint32_t id, std::uint32_t code);
     Node(const Node&) = delete;
     const Node& operator=(const Node&) = delete;
 
-    uint32_t id_;
-    uint32_t code_;
+    std::uint32_t id_;
+    std::uint32_t code_;
     std::vector<std::shared_ptr<Edge>> in_edges_;
     std::vector<std::shared_ptr<Edge>> out_edges_;
-    std::vector<uint32_t> aligned_nodes_ids_;
+    std::vector<std::uint32_t> aligned_nodes_ids_;
 };
 
 class Edge {
 public:
     ~Edge();
 
-    uint32_t begin_node_id() const {
+    std::uint32_t begin_node_id() const {
         return begin_node_id_;
     }
 
-    uint32_t end_node_id() const {
+    std::uint32_t end_node_id() const {
         return end_node_id_;
     }
 
     friend Graph;
     friend Node;
+
 private:
-    Edge(uint32_t begin_node_id, uint32_t end_node_id, uint32_t label,
-        uint32_t weight);
+    Edge(std::uint32_t begin_node_id, std::uint32_t end_node_id,
+        std::uint32_t label, std::uint32_t weight);
     Edge(const Edge&) = delete;
     const Edge& operator=(const Edge&) = delete;
 
-    void add_sequence(uint32_t label, uint32_t weight = 1);
+    void add_sequence(std::uint32_t label, std::uint32_t weight = 1);
 
-    uint32_t begin_node_id_;
-    uint32_t end_node_id_;
-    std::vector<uint32_t> sequence_labels_;
-    int64_t total_weight_;
+    std::uint32_t begin_node_id_;
+    std::uint32_t end_node_id_;
+    std::vector<std::uint32_t> sequence_labels_;
+    std::int64_t total_weight_;
 };
 
 }

src/alignment_engine.cpp

@@ -4,9 +4,9 @@
  * @brief AlignmentEngine class source file
  */
 
-#include <stdlib.h>
 #include <limits>
 #include <algorithm>
+#include <exception>
 
 #include "sisd_alignment_engine.hpp"
 #include "simd_alignment_engine.hpp"
@@ -14,45 +14,69 @@
 
 namespace spoa {
 
-std::unique_ptr<AlignmentEngine> createAlignmentEngine(
-    AlignmentType alignment_type, int8_t match, int8_t mismatch,
-    int8_t gap) {
+std::unique_ptr<AlignmentEngine> createAlignmentEngine(AlignmentType type,
+    std::int8_t m, std::int8_t n, std::int8_t g) {
 
-    if (alignment_type != AlignmentType::kSW &&
-        alignment_type != AlignmentType::kNW &&
-        alignment_type != AlignmentType::kOV) {
+    return createAlignmentEngine(type, m, n, g, g);
+}
+
+std::unique_ptr<AlignmentEngine> createAlignmentEngine(AlignmentType type,
+    std::int8_t m, std::int8_t n, std::int8_t g, std::int8_t e) {
 
-        fprintf(stderr, "[spoa::createAlignmentEngine] error: "
-            "invalid alignment type!\n");
-        exit(1);
+    return createAlignmentEngine(type, m, n, g, e, g, e);
 }
 
-    if (gap >= 0) {
-        fprintf(stderr, "[spoa::createAlignmentEngine] error: "
-            "gap penalty must be negative!\n");
-        exit(1);
+std::unique_ptr<AlignmentEngine> createAlignmentEngine(AlignmentType type,
+    std::int8_t m, std::int8_t n, std::int8_t g, std::int8_t e,
+    std::int8_t q, std::int8_t c) {
+
+    if (type != AlignmentType::kSW &&
+        type != AlignmentType::kNW &&
+        type != AlignmentType::kOV) {
+
+        throw std::invalid_argument("[spoa::createAlignmentEngine] error: "
+            "invalid alignment type!");
+    }
+    if (g > 0 || q > 0) {
+        throw std::invalid_argument("[spoa::createAlignmentEngine] error: "
+            "gap opening penalty must be non-positive!");
+    }
+    if (e > 0 || c > 0) {
+        throw std::invalid_argument("[spoa::createAlignmentEngine] error: "
+            "gap extension penalty must be non-positive!");
+    }
+
+    AlignmentSubtype subtype = g >= e ?
+        AlignmentSubtype::kLinear : (g <= q || e >= c ?
+        AlignmentSubtype::kAffine : AlignmentSubtype::kConvex);
+
+    if (subtype == AlignmentSubtype::kLinear) {
+        e = g;
+    } else if (subtype == AlignmentSubtype::kAffine) {
+        q = g;
+        c = e;
     }
 
-    auto alignment_engine = createSimdAlignmentEngine(alignment_type, match,
-        mismatch, gap);
+    auto alignment_engine = createSimdAlignmentEngine(type, subtype, m, n, g, e,
+        q, c);
 
     if (alignment_engine == nullptr) {
-        return createSisdAlignmentEngine(alignment_type, match, mismatch, gap);
+        return createSisdAlignmentEngine(type, subtype, m, n, g, e, q, c);
     }
 
     return alignment_engine;
 }
 
-AlignmentEngine::AlignmentEngine(AlignmentType alignment_type, int8_t match,
-    int8_t mismatch, int8_t gap)
-        : alignment_type_(alignment_type), match_(match), mismatch_(mismatch),
-        gap_(gap) {
+AlignmentEngine::AlignmentEngine(AlignmentType type, AlignmentSubtype subtype,
+    std::int8_t m, std::int8_t n, std::int8_t g, std::int8_t e,
+    std::int8_t q, std::int8_t c)
+        : type_(type), subtype_(subtype), m_(m), n_(n), g_(g), e_(e), q_(q), c_(c) {
 }
 
-Alignment AlignmentEngine::align_sequence_with_graph(const std::string& sequence,
+Alignment AlignmentEngine::align(const std::string& sequence,
     const std::unique_ptr<Graph>& graph) {
 
-    return this->align_sequence_with_graph(sequence.c_str(), sequence.size(), graph);
+    return align(sequence.c_str(), sequence.size(), graph);
 }
 
 }

src/main.cpp

-#include <stdio.h>
-#include <stdlib.h>
 #include <getopt.h>
 
+#include <cstdint>
+#include <string>
+#include <iostream>
+#include <exception>
+
 #include "sequence.hpp"
 
 #include "spoa/spoa.hpp"
 #include "bioparser/bioparser.hpp"
 
-static const char* version = "v1.1.3";
+static const std::string version = "v3.0.1";
 
 static struct option options[] = {
-    {"match", required_argument, 0, 'm'},
-    {"mismatch", required_argument, 0, 'x'},
-    {"gap", required_argument, 0, 'g'},
-    {"algorithm", required_argument, 0, 'l'},
-    {"result", required_argument, 0, 'r'},
-    {"version", no_argument, 0, 'v'},
-    {"help", no_argument, 0, 'h'},
-    {0, 0, 0, 0}
+    {"algorithm", required_argument, nullptr, 'l'},
+    {"result", required_argument, nullptr, 'r'},
+    {"dot", required_argument, nullptr, 'd'},
+    {"version", no_argument, nullptr, 'v'},
+    {"help", no_argument, nullptr, 'h'},
+    {nullptr, 0, nullptr, 0}
 };
 
 void help();
 
 int main(int argc, char** argv) {
 
-    int8_t match = 5;
-    int8_t mismatch = -4;
-    int8_t gap = -8;
+    std::int8_t m = 5;
+    std::int8_t n = -4;
+    std::int8_t g = -8;
+    std::int8_t e = -6;
+    std::int8_t q = -10;
+    std::int8_t c = -4;
+
+    std::uint8_t algorithm = 0;
+    std::uint8_t result = 0;
 
-    uint8_t algorithm = 0;
-    uint8_t result = 0;
+    std::string dot_path = "";
 
     char opt;
-    while ((opt = getopt_long(argc, argv, "m:x:g:l:r:h", options, nullptr)) != -1) {
+    while ((opt = getopt_long(argc, argv, "m:n:g:e:q:c:l:r:d:h", options, nullptr)) != -1) {
         switch (opt) {
-            case 'm':
-                match = atoi(optarg);
-                break;
-            case 'x':
-                mismatch = atoi(optarg);
-                break;
-            case 'g':
-                gap = atoi(optarg);
-                break;
-            case 'l':
-                algorithm = atoi(optarg);
-                break;
-            case 'r':
-                result = atoi(optarg);
-                break;
-            case 'v':
-                printf("%s\n", version);
-                exit(0);
-            case 'h':
-                help();
-                exit(0);
-            default:
-                exit(1);
+            case 'm': m = atoi(optarg); break;
+            case 'n': n = atoi(optarg); break;
+            case 'g': g = atoi(optarg); break;
+            case 'e': e = atoi(optarg); break;
+            case 'q': q = atoi(optarg); break;
+            case 'c': c = atoi(optarg); break;
+            case 'l': algorithm = atoi(optarg); break;
+            case 'r': result = atoi(optarg); break;
+            case 'd': dot_path = optarg; break;
+            case 'v': std::cout << version << std::endl; return 0;
+            case 'h': help(); return 0;
+            default: return 1;
         }
     }
 
     if (optind >= argc) {
-        fprintf(stderr, "[spoa::] error: missing input file!\n");
+        std::cerr << "[spoa::] error: missing input file!" << std::endl;
         help();
-        exit(1);
+        return 1;
     }
 
-    std::string input_path = argv[optind];
-    auto extension = input_path.substr(std::min(input_path.rfind('.'),
-        input_path.size()));
+    std::string sequences_path = argv[optind];
+
+    auto is_suffix = [](const std::string& src, const std::string& suffix) -> bool {
+        if (src.size() < suffix.size()) {
+            return false;
+        }
+        return src.compare(src.size() - suffix.size(), suffix.size(), suffix) == 0;
+    };
 
     std::unique_ptr<bioparser::Parser<spoa::Sequence>> sparser = nullptr;
 
-    if (extension == ".fasta" || extension == ".fa") {
+    if (is_suffix(sequences_path, ".fasta") || is_suffix(sequences_path, ".fa") ||
+        is_suffix(sequences_path, ".fasta.gz") || is_suffix(sequences_path, ".fa.gz")) {
         sparser = bioparser::createParser<bioparser::FastaParser, spoa::Sequence>(
-            input_path);
-    } else if (extension == ".fastq" || extension == ".fq") {
+            sequences_path);
+    } else if (is_suffix(sequences_path, ".fastq") || is_suffix(sequences_path, ".fq") ||
+        is_suffix(sequences_path, ".fastq.gz") || is_suffix(sequences_path, ".fq.gz")) {
         sparser = bioparser::createParser<bioparser::FastqParser, spoa::Sequence>(
-            input_path);
+            sequences_path);
     } else {
-        fprintf(stderr, "[spoa::] error: "
-            "file %s has unsupported format extension (valid extensions: "
-            ".fasta, .fa, .fastq, .fq)!\n", input_path.c_str());
-        exit(1);
+        std::cerr << "[spoa::] error: file " << sequences_path <<
+            " has unsupported format extension (valid extensions: .fasta, "
+            ".fasta.gz, .fa, .fa.gz, .fastq, .fastq.gz, .fq, .fq.gz)!" <<
+            std::endl;
+        return 1;
     }
 
-    auto alignment_engine = spoa::createAlignmentEngine(
-        static_cast<spoa::AlignmentType>(algorithm), match, mismatch, gap);
+    std::unique_ptr<spoa::AlignmentEngine> alignment_engine;
+    try {
+        alignment_engine = spoa::createAlignmentEngine(
+            static_cast<spoa::AlignmentType>(algorithm), m, n, g, e, q, c);
+    } catch(std::invalid_argument& exception) {
+        std::cerr << exception.what() << std::endl;
+        return 1;
+    }
 
     auto graph = spoa::createGraph();
 
     std::vector<std::unique_ptr<spoa::Sequence>> sequences;
-    sparser->parse_objects(sequences, -1);
+    sparser->parse(sequences, -1);
 
-    size_t max_sequence_size = 0;
+    std::size_t max_sequence_size = 0;
     for (const auto& it: sequences) {
         max_sequence_size = std::max(max_sequence_size, it->data().size());
     }
     alignment_engine->prealloc(max_sequence_size, 4);
 
     for (const auto& it: sequences) {
-        auto alignment = alignment_engine->align_sequence_with_graph(it->data(),
-            graph);
+        auto alignment = alignment_engine->align(it->data(), graph);
+        try {
             graph->add_alignment(alignment, it->data(), it->quality());
+        } catch(std::invalid_argument& exception) {
+            std::cerr << exception.what() << std::endl;
+            return 1;
+        }
     }
 
     if (result == 0 || result == 2) {
         std::string consensus = graph->generate_consensus();
-        fprintf(stdout, "Consensus (%zu)\n", consensus.size());
-        fprintf(stdout, "%s\n", consensus.c_str());
+        std::cout << "Consensus (" << consensus.size() << ")" << std::endl;
+        std::cout << consensus << std::endl;
     }
 
     if (result == 1 || result == 2) {
         std::vector<std::string> msa;
         graph->generate_multiple_sequence_alignment(msa);
-        fprintf(stdout, "Multiple sequence alignment\n");
+        std::cout << "Multiple sequence alignment" << std::endl;
         for (const auto& it: msa) {
-            fprintf(stdout, "%s\n", it.c_str());
+            std::cout << it << std::endl;
         }
     }
 
+    graph->print_dot(dot_path);
+
     return 0;
 }
 
 void help() {
-    printf(
+    std::cout <<
         "usage: spoa [options ...] <sequences>\n"
         "\n"
         "    <sequences>\n"
-        "        input file in FASTA/FASTQ format containing sequences\n"
+        "        input file in FASTA/FASTQ format (can be compressed with gzip)\n"
+        "        containing sequences\n"
         "\n"
         "    options:\n"
-        "        -m, --match <int>\n"
+        "        -m <int>\n"
         "            default: 5\n"
         "            score for matching bases\n"
-        "        -x, --mismatch <int>\n"
+        "        -n <int>\n"
         "            default: -4\n"
         "            score for mismatching bases\n"
-        "        -g, --gap <int>\n"
+        "        -g <int>\n"
         "            default: -8\n"
-        "            gap penalty (must be negative)\n"
+        "            gap opening penalty (must be non-positive)\n"
+        "        -e <int>\n"
+        "            default: -6\n"
+        "            gap extension penalty (must be non-positive)\n"
+        "        -q <int>\n"
+        "            default: -10\n"
+        "            gap opening penalty of the second affine function\n"
+        "            (must be non-positive)\n"
+        "        -c <int>\n"
+        "            default: -4\n"
+        "            gap extension penalty of the second affine function\n"
+        "            (must be non-positive)\n"
         "        -l, --algorithm <int>\n"
         "            default: 0\n"
         "            alignment mode:\n"
@@ -152,8 +179,15 @@ void help() {
         "                0 - consensus\n"
         "                1 - multiple sequence alignment\n"
         "                2 - 0 & 1\n"
+        "        -d, --dot <file>\n"
+        "            output file for the final POA graph in DOT format\n"
         "        --version\n"
         "            prints the version number\n"
         "        -h, --help\n"
-        "            prints the usage\n");
+        "            prints the usage\n"
+        "\n"
+        "    gap mode:\n"
+        "        linear if g >= e\n"
+        "        affine if g <= q or e >= c\n"
+        "        convex otherwise (default)\n";
 }

src/sequence.cpp

@@ -8,14 +8,15 @@
 
 namespace spoa {
 
-Sequence::Sequence(const char* name, uint32_t name_size, const char* data,
-    uint32_t data_size)
+Sequence::Sequence(const char* name, std::uint32_t name_size,
+    const char* data, std::uint32_t data_size)
         : name_(name, name_size), data_(data, data_size), quality_(
         data_size, 34) {
 }
 
-Sequence::Sequence(const char* name, uint32_t name_size, const char* data,
-    uint32_t data_size, const char* quality, uint32_t quality_size)
+Sequence::Sequence(const char* name, std::uint32_t name_size,
+    const char* data, std::uint32_t data_size,
+    const char* quality, std::uint32_t quality_size)
         : name_(name, name_size), data_(data, data_size), quality_(quality,
         quality_size) {
 }

src/sequence.hpp

@@ -6,7 +6,7 @@
 
 #pragma once
 
-#include <stdint.h>
+#include <cstdint>
 #include <memory>
 #include <vector>
 #include <string>
@@ -23,7 +23,6 @@ namespace spoa {
 
 class Sequence {
 public:
-
     ~Sequence() = default;
 
     const std::string& name() const {
@@ -42,11 +41,11 @@ public:
     friend bioparser::FastqParser<Sequence>;
 
 private:
-
-    Sequence(const char* name, uint32_t name_size, const char* data,
-        uint32_t data_size);
-    Sequence(const char* name, uint32_t name_size, const char* data,
-        uint32_t data_size, const char* quality, uint32_t quality_size);
+    Sequence(const char* name, std::uint32_t name_size,
+        const char* data, std::uint32_t data_size);
+    Sequence(const char* name, std::uint32_t name_size,
+        const char* data, std::uint32_t data_size,
+        const char* quality, std::uint32_t quality_size);
     Sequence(const Sequence&) = delete;
     const Sequence& operator=(const Sequence&) = delete;
 

src/simd_alignment_engine.hpp

@@ -6,11 +6,10 @@
 
 #pragma once
 
-#include <stdint.h>
+#include <cstdint>
 #include <memory>
 #include <string>
 #include <vector>
-#include <utility>
 
 #include "spoa/alignment_engine.hpp"
 
@@ -19,37 +18,51 @@ namespace spoa {
 class Graph;
 
 class SimdAlignmentEngine;
-std::unique_ptr<AlignmentEngine> createSimdAlignmentEngine(
-    AlignmentType alignment_type, int8_t match, int8_t mismatch, int8_t gap);
+std::unique_ptr<AlignmentEngine> createSimdAlignmentEngine(AlignmentType type,
+    AlignmentSubtype subtype, std::int8_t m, std::int8_t n, std::int8_t g,
+    std::int8_t e, std::int8_t q, std::int8_t c);
 
 class SimdAlignmentEngine: public AlignmentEngine {
 public:
     ~SimdAlignmentEngine();
 
-    void prealloc(uint32_t max_sequence_size, uint32_t alphabet_size) override;
+    void prealloc(std::uint32_t max_sequence_size,
+        std::uint32_t alphabet_size) override;
 
-    Alignment align_sequence_with_graph(const char* sequence,
-        uint32_t sequence_size, const std::unique_ptr<Graph>& graph) override;
+    Alignment align(const char* sequence, std::uint32_t sequence_size,
+        const std::unique_ptr<Graph>& graph) noexcept override;
 
     friend std::unique_ptr<AlignmentEngine> createSimdAlignmentEngine(
-        AlignmentType alignment_type, int8_t match, int8_t mismatch, int8_t gap);
+        AlignmentType type, AlignmentSubtype subtype, std::int8_t m,
+        std::int8_t n, std::int8_t g, std::int8_t e, std::int8_t q,
+        std::int8_t c);
+
 private:
-    SimdAlignmentEngine(AlignmentType alignment_type, int8_t match,
-        int8_t mismatch, int8_t gap);
+    SimdAlignmentEngine(AlignmentType type, AlignmentSubtype subtype,
+        std::int8_t m, std::int8_t n, std::int8_t g, std::int8_t e,
+        std::int8_t q, std::int8_t c);
     SimdAlignmentEngine(const SimdAlignmentEngine&) = delete;
     const SimdAlignmentEngine& operator=(const SimdAlignmentEngine&) = delete;
 
     template<typename T>
-    Alignment align(const char* sequence, uint32_t sequence_size,
+    Alignment linear(const char* sequence, std::uint32_t sequence_size,
+        const std::unique_ptr<Graph>& graph) noexcept;
+
+    template<typename T>
+    Alignment affine(const char* sequence, std::uint32_t sequence_size,
+        const std::unique_ptr<Graph>& graph) noexcept;
+
+    template<typename T>
+    Alignment convex(const char* sequence, std::uint32_t sequence_size,
         const std::unique_ptr<Graph>& graph) noexcept;
 
-    void realloc(uint32_t matrix_width, uint32_t matrix_height,
-        uint32_t num_codes);
+    void realloc(std::uint32_t matrix_width, std::uint32_t matrix_height,
+        std::uint32_t num_codes);
 
     template<typename T>
     void initialize(const char* sequence, const std::unique_ptr<Graph>& graph,
-        uint32_t normal_matrix_width, uint32_t matrix_width,
-        uint32_t matrix_height) noexcept;
+        std::uint32_t normal_matrix_width, std::uint32_t matrix_width,
+        std::uint32_t matrix_height) noexcept;
 
     struct Implementation;
     std::unique_ptr<Implementation> pimpl_;