今天看Gilbert Strang的公开课,他提到了矩阵的应用中说了化学,这种方法在我之前写kinetic模型的时候就用了,核心代码很少,就能把一连串基元反应配平并合并了哈哈哈。来来来,上code(主要代码): 123456789 def (A, eps=1e-10): "get null space of transposition of site_matrix" u, s, vh = np.linalg.svd(A, full_matrices=1, compute_uv=1) null_space = np.compress(s <= eps, vh, axis=0) return null_space.T x = null(site_matrix.T) if not x.any(): # x is not empty raise ValueError('Failed to get basis of nullspace.') x = map(abs, x.T.tolist()[0]) 赞微海报分享
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