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/*************************************************************************
* Copyright (C) 2018-2022 Blue Brain Project
*
* This file is part of NMODL distributed under the terms of the GNU
* Lesser General Public License. See top-level LICENSE file for details.
*************************************************************************/
#include "kinetic_block_visitor.hpp"
#include "ast/all.hpp"
#include "symtab/symbol.hpp"
#include "utils/logger.hpp"
#include "utils/string_utils.hpp"
#include "visitor_utils.hpp"
namespace nmodl {
namespace visitor {
using symtab::syminfo::NmodlType;
void KineticBlockVisitor::process_reac_var(const std::string& varname, int count) {
// lookup index of state var
const auto it = state_var_index.find(varname);
if (it == state_var_index.cend()) {
// not a state var
// so this is a constant variable in the reaction statement
// this should be included in the fluxes:
if (in_reaction_statement_lhs) {
non_state_var_fflux[i_statement] = varname;
logger->debug("KineticBlockVisitor :: adding non-state fflux[{}] \"{}\"",
i_statement,
varname);
} else {
non_state_var_bflux[i_statement] = varname;
logger->debug("KineticBlockVisitor :: adding non-state bflux[{}] \"{}\"",
i_statement,
varname);
}
// but as it is not a state var, no ODE should be generated for it, i.e. no nu_L or nu_R
// entry.
} else {
// found state var index
int i_statevar = it->second;
if (in_reaction_statement_lhs) {
// set element of nu_L matrix
rate_eqs.nu_L[i_statement][i_statevar] += count;
logger->debug("KineticBlockVisitor :: nu_L[{}][{}] += {}",
i_statement,
i_statevar,
count);
} else {
// set element of nu_R matrix
rate_eqs.nu_R[i_statement][i_statevar] += count;
logger->debug("KineticBlockVisitor :: nu_R[{}][{}] += {}",
i_statement,
i_statevar,
count);
}
}
}
void KineticBlockVisitor::process_conserve_reac_var(const std::string& varname, int count) {
// subtract previous term from both sides of equation
if (!conserve_equation_statevar.empty()) {
if (conserve_equation_factor.empty()) {
conserve_equation_str += " - " + conserve_equation_statevar;
} else {
conserve_equation_str += " - (" + conserve_equation_factor + " * " +
conserve_equation_statevar + ")";
}
}
// construct new term
auto compartment_factor = compartment_factors[state_var_index[varname]];
if (compartment_factor.empty()) {
if (count == 1) {
conserve_equation_factor = "";
} else {
conserve_equation_factor = std::to_string(count);
}
} else {
conserve_equation_factor = compartment_factor + "*" + std::to_string(count);
}
// if new term is not a state var raise error
if (state_var_index.find(varname) == state_var_index.cend()) {
logger->error(
"KineticBlockVisitor :: Error : CONSERVE statement should only contain state vars "
"on LHS, but found {}",
varname);
} else {
conserve_equation_statevar = varname;
}
}
std::shared_ptr<ast::Expression> create_expr(const std::string& str_expr) {
auto statement = create_statement("dummy = " + str_expr);
auto expr = std::dynamic_pointer_cast<ast::ExpressionStatement>(statement)->get_expression();
return std::dynamic_pointer_cast<ast::BinaryExpression>(expr)->get_rhs();
}
void KineticBlockVisitor::visit_conserve(ast::Conserve& node) {
++conserve_statement_count;
// rewrite CONSERVE statement in form x = ...
// where x was the last state var on LHS, and whose ODE should later be replaced with this
// equation note: CONSERVE statement "implicitly takes into account COMPARTMENT factors on LHS"
// this means that each state var on LHS must be multiplied by its compartment factor
// the RHS is just an expression, no compartment factors are taken into account
// see p244 of NEURON book
logger->debug("KineticBlockVisitor :: CONSERVE statement: {}", to_nmodl(node));
conserve_equation_str = "";
conserve_equation_statevar = "";
conserve_equation_factor = "";
in_conserve_statement = true;
// construct equation to replace ODE in conserve_equation_str
node.visit_children(*this);
in_conserve_statement = false;
conserve_equation_str = to_nmodl(node.get_expr()) + conserve_equation_str;
if (!conserve_equation_factor.empty()) {
// divide by compartment factor of conserve_equation_statevar
conserve_equation_str = "(" + conserve_equation_str + ")/(" + conserve_equation_factor +
")";
}
// note: The following 4 lines result in a still valid (and equivalent) CONSERVE statement.
// later this block will become a DERIVATIVE block where it is no longer valid
// to have a CONSERVE statement. Parsing the equivalent nmodl in between the
// kinetic visitor and the sympysolvervisitor in presence of a conserve statement
// should result in an error since we do not want to add new functionalities to the language.
// the SympySolver will use to it replace the ODE (to replicate what neuron does)
auto statement = create_statement("CONSERVE " + conserve_equation_statevar + " = " +
conserve_equation_str);
auto expr = std::dynamic_pointer_cast<ast::Conserve>(statement);
// set react (lhs) of CONSERVE to the state variable whose ODE should be replaced
node.set_react(expr->get_react());
// set expr (rhs) of CONSERVE to the equation that should replace the ODE
node.set_expr(expr->get_expr());
logger->debug("KineticBlockVisitor :: --> {}", to_nmodl(node));
}
void KineticBlockVisitor::visit_compartment(ast::Compartment& node) {
// COMPARTMENT block has an expression, and a list of state vars it applies to.
// For each state var, the rhs of the differential eq should be divided by the expression.
// Here we store the expressions in the compartment_factors vector
auto expr = node.get_expression();
std::string expression = to_nmodl(expr);
logger->debug("KineticBlockVisitor :: COMPARTMENT expr: {}", expression);
for (const auto& name_ptr: node.get_names()) {
const auto& var_name = name_ptr->get_node_name();
const auto it = state_var_index.find(var_name);
if (it != state_var_index.cend()) {
int var_index = it->second;
compartment_factors[var_index] = expression;
logger->debug(
"KineticBlockVisitor :: COMPARTMENT factor {} for state var {} (index {})",
expression,
var_name,
var_index);
}
}
// add COMPARTMENT state to list of statements to remove
// since we don't want this statement to be present in the final DERIVATIVE block
statements_to_remove.insert(&node);
}
void KineticBlockVisitor::visit_reaction_operator(ast::ReactionOperator& node) {
auto reaction_op = node.get_value();
if (reaction_op == ast::ReactionOp::LTMINUSGT) {
// <->
// reversible reaction
// we go from visiting the lhs to visiting the rhs of the reaction statement
in_reaction_statement_lhs = false;
}
}
void KineticBlockVisitor::visit_react_var_name(
ast::ReactVarName& node) { // NOLINT(readability-function-cognitive-complexity)
// ReactVarName node contains a VarName and an Integer
// the VarName is the state variable which we convert to an index
// the Integer is the value to be added to the stoichiometric matrix at this index
auto varname = to_nmodl(node.get_name());
int count = node.get_value() ? node.get_value()->eval() : 1;
if (in_reaction_statement) {
process_reac_var(varname, count);
} else if (in_conserve_statement) {
if (array_state_var_size.find(varname) != array_state_var_size.cend()) {
// state var is an array: need to sum over each element
for (int i = 0; i < array_state_var_size[varname]; ++i) {
process_conserve_reac_var(varname + "[" + std::to_string(i) + "]", count);
}
} else {
process_conserve_reac_var(varname, count);
}
}
}
// NOLINTNEXTLINE(readability-function-cognitive-complexity)
void KineticBlockVisitor::visit_reaction_statement(ast::ReactionStatement& node) {
statements_to_remove.insert(&node);
auto reaction_op = node.get_op().get_value();
// special case for << statements
if (reaction_op == ast::ReactionOp::LTLT) {
logger->debug("KineticBlockVisitor :: '<<' reaction statement: {}", to_nmodl(node));
// statements involving the "<<" operator
// must have a single state var on lhs
// and a single expression on rhs that corresponds to d{state var}/dt
// So if x is a state var, then
// ~ x << (a*b)
// translates to the ODE contribution x' += a*b
const auto& lhs = node.get_reaction1();
/// check if reaction statement is a single state variable
bool single_state_var = true;
if (lhs->is_react_var_name()) {
auto value = std::dynamic_pointer_cast<ast::ReactVarName>(lhs)->get_value();
if (value && (value->eval() != 1)) {
single_state_var = false;
}
}
if (!lhs->is_react_var_name() || !single_state_var) {
logger->warn(
"KineticBlockVisitor :: LHS of \"<<\" reaction statement must be a single state "
"var, but instead found {}: ignoring this statement",
to_nmodl(lhs));
return;
}
const auto& rhs = node.get_expression1();
std::string varname = to_nmodl(lhs);
// get index of state var
const auto it = state_var_index.find(varname);
if (it != state_var_index.cend()) {
int var_index = it->second;
std::string expr = to_nmodl(rhs);
if (!additive_terms[var_index].empty()) {
additive_terms[var_index] += " + ";
}
// add to additive terms for this state var
additive_terms[var_index] += fmt::format("({})", expr);
logger->debug("KineticBlockVisitor :: '<<' reaction statement: {}' += {}",
varname,
expr);
}
return;
}
// forwards reaction rate
const auto& kf = node.get_expression1();
// backwards reaction rate
const auto& kb = node.get_expression2();
// add reaction rates to vectors kf, kb
auto kf_str = to_nmodl(kf);
logger->debug("KineticBlockVisitor :: k_f[{}] = {}", i_statement, kf_str);
rate_eqs.k_f.emplace_back(kf_str);
if (kb) {
// kf is always defined, but for statements with operator "->" kb is not
auto kb_str = to_nmodl(kb);
logger->debug("KineticBlockVisitor :: k_b[{}] = {}", i_statement, kb_str);
rate_eqs.k_b.emplace_back(kb_str);
} else {
rate_eqs.k_b.emplace_back();
}
// add empty non state var fluxes for this statement
non_state_var_fflux.emplace_back();
non_state_var_bflux.emplace_back();
// add a row of zeros to the stoichiometric matrices
rate_eqs.nu_L.emplace_back(std::vector<int>(state_var_count, 0));
rate_eqs.nu_R.emplace_back(std::vector<int>(state_var_count, 0));
// visit each term in reaction statement and
// add the corresponding integer to the new row in the matrix
in_reaction_statement = true;
in_reaction_statement_lhs = true;
node.visit_children(*this);
in_reaction_statement = false;
// generate fluxes
modfile_fflux = rate_eqs.k_f.back();
modfile_bflux = rate_eqs.k_b.back();
// contribution from state vars
for (int j = 0; j < state_var_count; ++j) {
std::string multiply_var = std::string("*").append(state_var[j]);
int nu_L = rate_eqs.nu_L[i_statement][j];
while (nu_L-- > 0) {
modfile_fflux += multiply_var;
}
int nu_R = rate_eqs.nu_R[i_statement][j];
while (nu_R-- > 0) {
modfile_bflux += multiply_var;
}
}
// contribution from non-state vars
if (!non_state_var_fflux[i_statement].empty()) {
modfile_fflux += std::string("*").append(non_state_var_fflux[i_statement]);
}
if (!non_state_var_bflux[i_statement].empty()) {
modfile_bflux += std::string("*").append(non_state_var_bflux[i_statement]);
}
fflux.emplace_back(modfile_fflux);
bflux.emplace_back(modfile_bflux);
// for substituting into modfile, empty flux should be 0
if (modfile_fflux.empty()) {
modfile_fflux = "0";
}
if (modfile_bflux.empty()) {
modfile_bflux = "0";
}
logger->debug("KineticBlockVisitor :: fflux[{}] = {}", i_statement, fflux[i_statement]);
logger->debug("KineticBlockVisitor :: bflux[{}] = {}", i_statement, bflux[i_statement]);
// increment statement counter
++i_statement;
}
void KineticBlockVisitor::visit_wrapped_expression(ast::WrappedExpression& node) {
// If a wrapped expression contains a variable with name "f_flux" or "b_flux",
// this variable should be replaced by the expression for the corresponding flux
// which depends on the previous reaction statement. The current expressions are
// stored as strings in "modfile_fflux" and "modfile_bflux"
if (node.get_expression()->is_name()) {
auto var_name = std::dynamic_pointer_cast<ast::Name>(node.get_expression());
if (var_name->get_node_name() == "f_flux") {
auto expr = create_expr(modfile_fflux);
logger->debug("KineticBlockVisitor :: replacing f_flux with {}", to_nmodl(expr));
node.set_expression(std::move(expr));
} else if (var_name->get_node_name() == "b_flux") {
auto expr = create_expr(modfile_bflux);
logger->debug("KineticBlockVisitor :: replacing b_flux with {}", to_nmodl(expr));
node.set_expression(std::move(expr));
}
}
node.visit_children(*this);
}
void KineticBlockVisitor::visit_statement_block(ast::StatementBlock& node) {
auto prev_statement_block = current_statement_block;
current_statement_block = &node;
node.visit_children(*this);
// remove processed statements from current statement block
current_statement_block->erase_statement(statements_to_remove);
current_statement_block = prev_statement_block;
}
void KineticBlockVisitor::visit_kinetic_block(ast::KineticBlock& node) {
rate_eqs.nu_L.clear();
rate_eqs.nu_R.clear();
rate_eqs.k_f.clear();
rate_eqs.k_b.clear();
fflux.clear();
bflux.clear();
odes.clear();
modfile_fflux = "0";
modfile_bflux = "0";
// allocate these vectors with empty strings
compartment_factors = std::vector<std::string>(state_var_count);
additive_terms = std::vector<std::string>(state_var_count);
i_statement = 0;
// construct stochiometric matrices and fluxes
node.visit_children(*this);
// number of reaction statements
int Ni = static_cast<int>(rate_eqs.k_f.size());
// number of ODEs (= number of state vars)
int Nj = state_var_count;
// generate ODEs
for (int j = 0; j < Nj; ++j) {
// rhs of ODE eq
std::string ode_rhs = additive_terms[j];
for (int i = 0; i < Ni; ++i) {
int delta_nu = rate_eqs.nu_R[i][j] - rate_eqs.nu_L[i][j];
if (delta_nu != 0) {
// if not the first RHS term, add + sign first
if (!ode_rhs.empty()) {
ode_rhs += " + ";
}
if (bflux[i].empty()) {
ode_rhs += fmt::format("({}*({}))", delta_nu, fflux[i]);
} else if (fflux[i].empty()) {
ode_rhs += fmt::format("({}*(-{}))", delta_nu, bflux[i]);
} else {
ode_rhs += fmt::format("({}*({}-{}))", delta_nu, fflux[i], bflux[i]);
}
}
}
// divide by COMPARTMENT factor if present
if (!compartment_factors[j].empty()) {
ode_rhs = fmt::format("({})/({})", ode_rhs, compartment_factors[j]);
}
// if rhs of ODE is not empty, add to list of ODEs
if (!ode_rhs.empty()) {
auto state_var_split = stringutils::split_string(state_var[j], '[');
std::string var_str = state_var_split[0];
std::string index_str;
if (state_var_split.size() > 1) {
index_str = "[" + state_var_split[1];
}
odes.push_back(fmt::format("{}'{} = {}", var_str, index_str, ode_rhs));
}
}
for (const auto& ode: odes) {
logger->debug("KineticBlockVisitor :: ode : {}", ode);
}
const auto& kinetic_statement_block = node.get_statement_block();
// remove any remaining kinetic statements
kinetic_statement_block->erase_statement(statements_to_remove);
// add new statements
for (const auto& ode: odes) {
logger->debug("KineticBlockVisitor :: -> adding statement: {}", ode);
kinetic_statement_block->emplace_back_statement(create_statement(ode));
}
// store pointer to kinetic block
kinetic_blocks.push_back(&node);
}
void KineticBlockVisitor::visit_program(ast::Program& node) {
conserve_statement_count = 0;
statements_to_remove.clear();
current_statement_block = nullptr;
// get state variables - assign an index to each
state_var_index.clear();
array_state_var_size.clear();
state_var.clear();
state_var_count = 0;
if (auto symtab = node.get_symbol_table()) {
auto statevars = symtab->get_variables_with_properties(NmodlType::state_var);
for (const auto& v: statevars) {
std::string var_name = v->get_name();
if (v->is_array()) {
// CONSERVE statement needs to know this is an array state var, and its size:
array_state_var_size[var_name] = v->get_length();
// for array state vars we need to add each element of the array separately
var_name += "[";
for (int i = 0; i < v->get_length(); ++i) {
std::string var_name_i = var_name + std::to_string(i) + "]";
logger->debug("KineticBlockVisitor :: state_var_index[{}] = {}",
var_name_i,
state_var_count);
state_var_index[var_name_i] = state_var_count++;
state_var.push_back(var_name_i);
}
} else {
logger->debug("KineticBlockVisitor :: state_var_index[{}] = {}",
var_name,
state_var_count);
state_var_index[var_name] = state_var_count++;
state_var.push_back(var_name);
}
}
}
const auto& kineticBlockNodes = collect_nodes(node, {ast::AstNodeType::KINETIC_BLOCK});
// replace reaction statements within each kinetic block with equivalent ODEs
for (const auto& ii: kineticBlockNodes) {
ii->accept(*this);
}
// change KINETIC blocks -> DERIVATIVE blocks
auto blocks = node.get_blocks();
for (auto* kinetic_block: kinetic_blocks) {
for (auto it = blocks.begin(); it != blocks.end(); ++it) {
if (it->get() == kinetic_block) {
auto dblock =
std::make_shared<ast::DerivativeBlock>(kinetic_block->get_name(),
kinetic_block->get_statement_block());
ModToken tok{};
dblock->set_token(tok);
*it = dblock;
}
}
}
node.set_blocks(std::move(blocks));
}
} // namespace visitor
} // namespace nmodl
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