misc jswrapper.cpp cleanup (#6449)

- removed leftover, unused parse_morgan_fp_param() function
- remove leftover, unused deprecationMsgShown variable
- corrected error message which had a typo
- removed unused molArray variable
- removed DEPRECATED comment that had been forgotten

Co-authored-by: Tosco, Paolo <paolo.tosco@novartis.com>
This commit is contained in:
Paolo Tosco
2023-06-12 15:24:17 +02:00
committed by GitHub
parent 13a2c9ecb0
commit 758bf8cbce

View File

@@ -232,19 +232,6 @@ std::string generate_aligned_coords_helper(JSMol &self,
return self.generate_aligned_coords(templateMol, param.as<std::string>());
}
std::string parse_morgan_fp_param(unsigned int radius, unsigned int fplen,
const std::string &funcName) {
static std::unordered_set<std::string> deprecationMsgShown;
if (deprecationMsgShown.find(funcName) == deprecationMsgShown.end()) {
deprecationMsgShown.insert(funcName);
std::cerr << funcName << "(radius, fplen) is deprecated, use " << funcName
<< "(details) instead" << std::endl;
}
std::stringstream ss;
ss << "{\"radius\":" << radius << ",\"nBits\":" << fplen << "}";
return ss.str();
}
emscripten::val get_morgan_fp_as_uint8array(const JSMol &self,
const std::string &details) {
auto fp = self.get_morgan_fp_as_binary_text(details);
@@ -257,14 +244,12 @@ emscripten::val get_morgan_fp_as_uint8array(const JSMol &self) {
std::string parse_pattern_fp_param(const emscripten::val &param,
const std::string &funcName) {
static std::unordered_set<std::string> deprecationMsgShown;
std::string details;
if (param.typeOf().as<std::string>() == "string") {
details = param.as<std::string>();
} else {
throw std::runtime_error(
(funcName + "get_pattern_fp expects a JSON string as parameter")
.c_str());
(funcName + " expects a JSON string as parameter").c_str());
}
return details;
}
@@ -325,7 +310,6 @@ emscripten::val get_maccs_fp_as_uint8array(const JSMol &self) {
emscripten::val get_frags_helper(JSMol &self, const std::string &details) {
auto res = self.get_frags(details);
auto obj = emscripten::val::object();
auto molArray = emscripten::val::object();
obj.set("molList", res.first);
obj.set("mappings", res.second);
return obj;
@@ -490,7 +474,6 @@ EMSCRIPTEN_BINDINGS(RDKit_minimal) {
.function("get_morgan_fp",
select_overload<std::string(const std::string &) const>(
&JSMol::get_morgan_fp))
// DEPRECATED
.function("get_pattern_fp",
select_overload<std::string() const>(&JSMol::get_pattern_fp))
.function("get_topological_torsion_fp",