139 lines
4.5 KiB
C++
139 lines
4.5 KiB
C++
#include "Poly2FindPeaks.h"
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using namespace std;
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vector<double> Poly2FindPeaks::SmoothData(const vector<double>& data, int window_size)
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{
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if (window_size % 2 == 0)
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// 确保窗口大小为奇数
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window_size++;
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int n = data.size();
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int halfWin = window_size / 2;
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vector<double> smoothed(n, 0.0);
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for (int i = 0; i < n; ++i) {
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int start = max(0, i - halfWin);
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int end = min(n - 1, i + halfWin);
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int count = end - start + 1;
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double sum = 0.0;
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for (int j = start; j <= end; ++j) {
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sum += data[j];
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}
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smoothed[i] = sum / count;
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}
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return smoothed;
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}
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// 计算基线（使用百分位法，假设大部分数据为基线）
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double Poly2FindPeaks::calculateBaseline(const vector<double>& data, double percentile)
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{
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vector<double> sorted_data = data;
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sort(sorted_data.begin(), sorted_data.end());
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int idx = static_cast<int>(sorted_data.size() * percentile);
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return sorted_data[idx];
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}
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vector<Poly2FindPeaks::Peak> Poly2FindPeaks::findPeaks(const vector<double>& data, double height_threshold, int min_distance, int smooth_window)
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{
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vector<Peak> peaks;
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int n = data.size();
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if (n < 3)
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// 数据点太少，无法检测峰值
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return peaks;
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// 1. 预处理：平滑数据
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vector<double> smoothed = SmoothData(data, smooth_window);
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// 2. 计算基线
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double baseline = calculateBaseline(smoothed);
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// 3. 初步检测局部最大值（峰值候选）
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vector<int> candidates;
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for (int i = 1; i < n - 1; ++i) {
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// 判断是否为局部最大值
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if (smoothed[i] > smoothed[i - 1] && smoothed[i] > smoothed[i + 1]) {
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// 高度超过阈值（相对于基线）
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double height = smoothed[i] - baseline;
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if (height > height_threshold) {
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candidates.push_back(i);
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}
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}
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}
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// 4. 过滤近距离峰（保留较高的峰）
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vector<int> filtered;
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for (int cand : candidates) {
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bool keep = true;
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// 检查与已保留峰的距离
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for (int peakIdx : filtered) {
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if (abs(cand - peakIdx) < min_distance) {
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// 保留高度更高的峰
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if (smoothed[cand] <= smoothed[peakIdx]) {
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keep = false;
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break;
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} else {
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// 移除较低的峰
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auto it = find(filtered.begin(), filtered.end(), peakIdx);
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if (it != filtered.end()) {
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filtered.erase(it);
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}
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}
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}
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}
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if (keep) {
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filtered.push_back(cand);
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}
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}
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// 5. 提取峰值特征
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for (int idx : filtered) {
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Peak peak;
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peak.index = idx;
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peak.amplitude = smoothed[idx];
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peak.height = peak.amplitude - baseline;
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// 计算精确位置（抛物线插值）
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if (idx > 0 && idx < n - 1) {
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double y0 = smoothed[idx - 1];
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double y1 = smoothed[idx];
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double y2 = smoothed[idx + 1];
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// 抛物线拟合：y = ax² + bx + c，顶点在 x = -b/(2a)
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double a = (y0 + y2 - 2 * y1) / 2;
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double b = (y2 - y0) / 2;
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peak.position = idx - b / (2 * a); // 精确位置（可能非整数）
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} else {
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peak.position = idx; // 边缘点无法插值，直接用索引
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}
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// 计算半高宽FWHM
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double halfHeight = baseline + peak.height / 2;
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int left = idx, right = idx;
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// 向左找半高处
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while (left > 0 && smoothed[left] > halfHeight) {
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left--;
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}
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// 向右找半高处
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while (right < n - 1 && smoothed[right] > halfHeight) {
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right++;
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}
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// 线性插值计算半高处的精确位置
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double leftPos = left;
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if (left < idx) {
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double dy = smoothed[left + 1] - smoothed[left];
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if (dy != 0) {
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leftPos += (halfHeight - smoothed[left]) / dy;
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}
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}
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double rightPos = right;
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if (right > idx) {
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double dy = smoothed[right] - smoothed[right - 1];
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if (dy != 0) {
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rightPos = right - 1 + (halfHeight - smoothed[right - 1]) / dy;
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}
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}
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peak.fwhm = rightPos - leftPos;
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peaks.push_back(peak);
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}
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// 按位置排序
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sort(peaks.begin(), peaks.end(), [](const Peak& a, const Peak& b) {
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return a.position < b.position;
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});
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return peaks;
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}
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