feat(GraphNetwork): started templating for auto diff
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@@ -20,7 +20,8 @@
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namespace serif::network {
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GraphNetwork::GraphNetwork(
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template <typename GeneralScalarType>
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GraphNetwork<GeneralScalarType>::GraphNetwork(
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const serif::composition::Composition &composition
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):
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Network(REACLIB),
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@@ -32,7 +33,8 @@ namespace serif::network {
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syncInternalMaps();
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}
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GraphNetwork::GraphNetwork(
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template <typename GeneralScalarType>
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GraphNetwork<GeneralScalarType>::GraphNetwork(
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const serif::composition::Composition &composition,
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const double cullingThreshold,
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const double T9
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@@ -46,14 +48,16 @@ namespace serif::network {
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syncInternalMaps();
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}
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void GraphNetwork::syncInternalMaps() {
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template <typename GeneralScalarType>
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void GraphNetwork<GeneralScalarType>::syncInternalMaps() {
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collectNetworkSpecies();
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populateReactionIDMap();
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populateSpeciesToIndexMap();
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}
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// --- Network Graph Construction Methods ---
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void GraphNetwork::collectNetworkSpecies() {
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template <typename GeneralScalarType>
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void GraphNetwork<GeneralScalarType>::collectNetworkSpecies() {
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m_networkSpecies.clear();
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m_networkSpeciesMap.clear();
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@@ -81,7 +85,8 @@ namespace serif::network {
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}
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void GraphNetwork::populateReactionIDMap() {
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template <typename GeneralScalarType>
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void GraphNetwork<GeneralScalarType>::populateReactionIDMap() {
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LOG_INFO(m_logger, "Populating reaction ID map for REACLIB graph network (serif::network::GraphNetwork)...");
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m_reactionIDMap.clear();
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for (const auto& reaction: m_reactions) {
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